Organic phosphonic acids and derivatives

Organic compounds that consist of phosphonic acid with organic functional group substitutions; includes compounds that are derived from organic phosphonic acids.

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Phosphonoacetic acid, 98+%

CAS: 4408-78-0 Formula molecolare: C2H5O5P Molecular Weight (g/mol): 140.03 Numero MDL: MFCD00004311 InChI Key: XUYJLQHKOGNDPB-UHFFFAOYSA-N Sinonimo: phosphonoacetic acid,fosfonet,phosphonoacetate,acetic acid, phosphono,fosfonet sodium,phosphonacetic acid,carboxymethanephosphonic acid,fosfonoacetic acid,disodium phosphonoacetate,lopac-p-6909 PubChem CID: 546 ChEBI: CHEBI:15732 IUPAC Name: 2-phosphonoacetic acid SMILES: OC(=O)CP(O)(O)=O

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Sinonimo	phosphonoacetic acid,fosfonet,phosphonoacetate,acetic acid, phosphono,fosfonet sodium,phosphonacetic acid,carboxymethanephosphonic acid,fosfonoacetic acid,disodium phosphonoacetate,lopac-p-6909
Numero MDL	MFCD00004311
PubChem CID	546
Formula molecolare	C2H5O5P
CAS	4408-78-0
Molecular Weight (g/mol)	140.03
ChEBI	CHEBI:15732
SMILES	OC(=O)CP(O)(O)=O
IUPAC Name	2-phosphonoacetic acid
InChI Key	XUYJLQHKOGNDPB-UHFFFAOYSA-N

(Aminomethyl)phosphonic acid, 99%, Thermo Scientific Chemicals

CAS: 1066-51-9 Formula molecolare: CH₆NO₃P Molecular Weight (g/mol): 111.04 Numero MDL: MFCD00008105 InChI Key: MGRVRXRGTBOSHW-UHFFFAOYSA-N Sinonimo: aminomethyl phosphonic acid,aminomethanephosphonic acid,amep,1-aminomethylphosphonic acid,1-aminomethylphosphonate,amino methane phosphoric acid,caswell no. 037c,1-aminomethyl phosphonic acid,phosphonic acid, aminomethyl PubChem CID: 14017 ChEBI: CHEBI:28812 IUPAC Name: aminomethylphosphonic acid SMILES: C(N)P(=O)(O)O

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Sinonimo	aminomethyl phosphonic acid,aminomethanephosphonic acid,amep,1-aminomethylphosphonic acid,1-aminomethylphosphonate,amino methane phosphoric acid,caswell no. 037c,1-aminomethyl phosphonic acid,phosphonic acid, aminomethyl
Numero MDL	MFCD00008105
PubChem CID	14017
Formula molecolare	CH₆NO₃P
CAS	1066-51-9
Molecular Weight (g/mol)	111.04
ChEBI	CHEBI:28812
SMILES	C(N)P(=O)(O)O
IUPAC Name	aminomethylphosphonic acid
InChI Key	MGRVRXRGTBOSHW-UHFFFAOYSA-N

n-Hexylphosphonic acid

CAS: 4721-24-8 Formula molecolare: C6H15O3P Molecular Weight (g/mol): 166.157 Numero MDL: MFCD00013961 InChI Key: GJWAEWLHSDGBGG-UHFFFAOYSA-N Sinonimo: n-hexylphosphonic acid,phosphonic acid, p-hexyl,hexylphosphonicacid,p-hexyl-phosphonic acid,hexylphosphonic acid PubChem CID: 312552 IUPAC Name: hexylphosphonic acid SMILES: CCCCCCP(=O)(O)O

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Sinonimo	n-hexylphosphonic acid,phosphonic acid, p-hexyl,hexylphosphonicacid,p-hexyl-phosphonic acid,hexylphosphonic acid
Numero MDL	MFCD00013961
PubChem CID	312552
Formula molecolare	C6H15O3P
CAS	4721-24-8
Molecular Weight (g/mol)	166.157
SMILES	CCCCCCP(=O)(O)O
IUPAC Name	hexylphosphonic acid
InChI Key	GJWAEWLHSDGBGG-UHFFFAOYSA-N

Methylenediphosphonic acid, 98+%

CAS: 1984-15-2 Formula molecolare: CH4Na2O6P2 Molecular Weight (g/mol): 219.96 Numero MDL: MFCD00002139 InChI Key: RXSYPQBNTPQOTQ-UHFFFAOYSA-L Sinonimo: methylenediphosphonic acid,medronic acid,acido medronico,methylene diphosphonate,acide medronique,acidum medronicum,phosphonic acid, methylenebis,methylenebis phosphonic acid,mdp-bracco,methanediphosphonic acid PubChem CID: 16124 ChEBI: CHEBI:43945 IUPAC Name: phosphonomethylphosphonic acid SMILES: [Na+].[Na+].OP([O-])(=O)CP(O)([O-])=O

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Sinonimo	methylenediphosphonic acid,medronic acid,acido medronico,methylene diphosphonate,acide medronique,acidum medronicum,phosphonic acid, methylenebis,methylenebis phosphonic acid,mdp-bracco,methanediphosphonic acid
Numero MDL	MFCD00002139
PubChem CID	16124
Formula molecolare	CH4Na2O6P2
CAS	1984-15-2
Molecular Weight (g/mol)	219.96
ChEBI	CHEBI:43945
SMILES	[Na+].[Na+].OP([O-])(=O)CP(O)([O-])=O
IUPAC Name	phosphonomethylphosphonic acid
InChI Key	RXSYPQBNTPQOTQ-UHFFFAOYSA-L

Phenylphosphonic acid, 98%

CAS: 1571-33-1 Formula molecolare: C6H7O3P Molecular Weight (g/mol): 158.09 Numero MDL: MFCD00002136 InChI Key: QLZHNIAADXEJJP-UHFFFAOYSA-N Sinonimo: benzenephosphonic acid,phosphonic acid, phenyl,phenyl-phosphonic acid,phosphonic acid, p-phenyl,phenyl phosphonic acid,unii-byd76t2868,sv7,pubchem21303,phosphonic acid,phenyl,wln: qpqo&r PubChem CID: 15295 IUPAC Name: phenylphosphonic acid SMILES: OP(O)(=O)C1=CC=CC=C1

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Sinonimo	benzenephosphonic acid,phosphonic acid, phenyl,phenyl-phosphonic acid,phosphonic acid, p-phenyl,phenyl phosphonic acid,unii-byd76t2868,sv7,pubchem21303,phosphonic acid,phenyl,wln: qpqo&r
Numero MDL	MFCD00002136
PubChem CID	15295
Formula molecolare	C6H7O3P
CAS	1571-33-1
Molecular Weight (g/mol)	158.09
SMILES	OP(O)(=O)C1=CC=CC=C1
IUPAC Name	phenylphosphonic acid
InChI Key	QLZHNIAADXEJJP-UHFFFAOYSA-N

Tetraethyl (dimethylaminomethylene)diphosphonate, 97%

CAS: 18855-52-2 Formula molecolare: C11H27NO6P2 Molecular Weight (g/mol): 331.286 Numero MDL: MFCD00015128 InChI Key: SQDDGOVNJMIFFT-UHFFFAOYSA-N Sinonimo: tetraethyl dimethylaminomethylenediphosphonate,tetraethyl dimethylaminomethylene diphosphonate,phosphonic acid, dimethylamino methylene bis-, tetraethyl ester,tetraethyl dimethylamino methylene bisphosphonate,acmc-1bs7f,1,1-bis diethoxyphosphoryl-n,n-dimethylmethanamine,dimethylamino methylene bis phosphonic acid diethyl ester,diethyl diethoxyphosphoryl dimethylamino methylphosphonate,diethoxy-phosphoryl-dimethylamino-methyl-phosphonic acid diethyl ester PubChem CID: 86795 IUPAC Name: 1,1-bis(diethoxyphosphoryl)-N,N-dimethylmethanamine SMILES: CCOP(=O)(C(N(C)C)P(=O)(OCC)OCC)OCC

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Sinonimo	tetraethyl dimethylaminomethylenediphosphonate,tetraethyl dimethylaminomethylene diphosphonate,phosphonic acid, dimethylamino methylene bis-, tetraethyl ester,tetraethyl dimethylamino methylene bisphosphonate,acmc-1bs7f,1,1-bis diethoxyphosphoryl-n,n-dimethylmethanamine,dimethylamino methylene bis phosphonic acid diethyl ester,diethyl diethoxyphosphoryl dimethylamino methylphosphonate,diethoxy-phosphoryl-dimethylamino-methyl-phosphonic acid diethyl ester
Numero MDL	MFCD00015128
PubChem CID	86795
Formula molecolare	C11H27NO6P2
CAS	18855-52-2
Molecular Weight (g/mol)	331.286
SMILES	CCOP(=O)(C(N(C)C)P(=O)(OCC)OCC)OCC
IUPAC Name	1,1-bis(diethoxyphosphoryl)-N,N-dimethylmethanamine
InChI Key	SQDDGOVNJMIFFT-UHFFFAOYSA-N

Vinylphosphonic acid, 90%, technical, Thermo Scientific Chemicals

CAS: 1746-03-8 Formula molecolare: C2H3O3P Molecular Weight (g/mol): 106.02 Numero MDL: MFCD00043866 InChI Key: ZTWTYVWXUKTLCP-UHFFFAOYSA-L Sinonimo: vinylphosphonic acid,phosphonic acid, ethenyl-, homopolymer,vinyl-phosphonicaci,ethenephosphonicacid,ethenylphosphonicacid,ethenyl-phosphonicaci,ethylenephosphonicacid,phosphonic acid, p-ethenyl-, homopolymer,acmc-1bvr6,poly vinylphosphonic acid PubChem CID: 168725 IUPAC Name: ethenylphosphonic acid SMILES: [O-]P([O-])(=O)C=C

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Sinonimo	vinylphosphonic acid,phosphonic acid, ethenyl-, homopolymer,vinyl-phosphonicaci,ethenephosphonicacid,ethenylphosphonicacid,ethenyl-phosphonicaci,ethylenephosphonicacid,phosphonic acid, p-ethenyl-, homopolymer,acmc-1bvr6,poly vinylphosphonic acid
Numero MDL	MFCD00043866
PubChem CID	168725
Formula molecolare	C2H3O3P
CAS	1746-03-8
Molecular Weight (g/mol)	106.02
SMILES	[O-]P([O-])(=O)C=C
IUPAC Name	ethenylphosphonic acid
InChI Key	ZTWTYVWXUKTLCP-UHFFFAOYSA-L

Trimethyl phosphonoacetate, 98%

CAS: 5927-18-4 Formula molecolare: C₅H₁₁O₅P Molecular Weight (g/mol): 182.11 InChI Key: SIGOIUCRXKUEIG-UHFFFAOYSA-N Sinonimo: trimethyl phosphonoacetate,methyl 2-dimethoxyphosphoryl acetate,trimethyl phosphonacetate,trimethylacetyl phosphate,acetic acid, dimethoxyphosphinyl-, methyl ester,methyl-dimethoxyphosphoryl acetat,trimethyl phosphoroacetate,phosphonoacetic acid trimethyl ester,methyl dimethylphosphonoacetate,methyl dimethoxyphosphoryl acetate PubChem CID: 80029 IUPAC Name: methyl 2-dimethoxyphosphorylacetate SMILES: COC(=O)CP(=O)(OC)OC

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Sinonimo	trimethyl phosphonoacetate,methyl 2-dimethoxyphosphoryl acetate,trimethyl phosphonacetate,trimethylacetyl phosphate,acetic acid, dimethoxyphosphinyl-, methyl ester,methyl-dimethoxyphosphoryl acetat,trimethyl phosphoroacetate,phosphonoacetic acid trimethyl ester,methyl dimethylphosphonoacetate,methyl dimethoxyphosphoryl acetate
PubChem CID	80029
Formula molecolare	C₅H₁₁O₅P
CAS	5927-18-4
Molecular Weight (g/mol)	182.11
SMILES	COC(=O)CP(=O)(OC)OC
IUPAC Name	methyl 2-dimethoxyphosphorylacetate
InChI Key	SIGOIUCRXKUEIG-UHFFFAOYSA-N

Diethyl (3,3-diethoxypropyl)phosphonate, 95%, stabilized with max. 1% w/w Na2CO3

CAS: 15110-17-5 Formula molecolare: C₁₁H₂₅O₅P Molecular Weight (g/mol): 268.29 Numero MDL: MFCD00800259 InChI Key: WKPXMGJOGYEGNW-UHFFFAOYSA-N Sinonimo: diethyl 3,3-diethoxypropyl phosphonate,diethyl 3,3-diethoxypropylphosphonate,phosphonic acid, p-3,3-diethoxypropyl-, diethyl ester,3-diethoxyphosphoryl-1,1-diethoxy-propane,3-diethoxyphosphoryl propanaldehyde diethyl acetal,phosphonic acid,p-3,3-diethoxypropyl-, diethyl ester PubChem CID: 328856 IUPAC Name: 3-diethoxyphosphoryl-1,1-diethoxypropane SMILES: CCOC(CCP(=O)(OCC)OCC)OCC

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Sinonimo	diethyl 3,3-diethoxypropyl phosphonate,diethyl 3,3-diethoxypropylphosphonate,phosphonic acid, p-3,3-diethoxypropyl-, diethyl ester,3-diethoxyphosphoryl-1,1-diethoxy-propane,3-diethoxyphosphoryl propanaldehyde diethyl acetal,phosphonic acid,p-3,3-diethoxypropyl-, diethyl ester
Numero MDL	MFCD00800259
PubChem CID	328856
Formula molecolare	C₁₁H₂₅O₅P
CAS	15110-17-5
Molecular Weight (g/mol)	268.29
SMILES	CCOC(CCP(=O)(OCC)OCC)OCC
IUPAC Name	3-diethoxyphosphoryl-1,1-diethoxypropane
InChI Key	WKPXMGJOGYEGNW-UHFFFAOYSA-N

Tetraethyl ethylenediphosphonate, 98%

CAS: 995-32-4 Formula molecolare: C10H24O6P2 Molecular Weight (g/mol): 302.24 Numero MDL: MFCD00015133 InChI Key: RSQYXXACEZCDFS-UHFFFAOYSA-N Sinonimo: tetraethyl ethylenediphosphonate,tetraethyl ethylenebisphosphonate,ethylenediphosphonic acid tetraethyl ester,tetraethyl ethane-1,2-diylbis phosphonate,1,2-bis diethoxyphosphoryl ethane,1,2-bis diethyl-phosphonato ethane,phosphonic acid, 1,2-ethanediylbis-, tetraethyl ester,diethyl 2-diethoxyphosphoryl ethylphosphonate,phosphonic acid, ethylenedi-, tetraethyl ester,acmc-209scy PubChem CID: 70446 IUPAC Name: 1,2-bis(diethoxyphosphoryl)ethane SMILES: CCOP(=O)(CCP(=O)(OCC)OCC)OCC

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Sinonimo	tetraethyl ethylenediphosphonate,tetraethyl ethylenebisphosphonate,ethylenediphosphonic acid tetraethyl ester,tetraethyl ethane-1,2-diylbis phosphonate,1,2-bis diethoxyphosphoryl ethane,1,2-bis diethyl-phosphonato ethane,phosphonic acid, 1,2-ethanediylbis-, tetraethyl ester,diethyl 2-diethoxyphosphoryl ethylphosphonate,phosphonic acid, ethylenedi-, tetraethyl ester,acmc-209scy
Numero MDL	MFCD00015133
PubChem CID	70446
Formula molecolare	C10H24O6P2
CAS	995-32-4
Molecular Weight (g/mol)	302.24
SMILES	CCOP(=O)(CCP(=O)(OCC)OCC)OCC
IUPAC Name	1,2-bis(diethoxyphosphoryl)ethane
InChI Key	RSQYXXACEZCDFS-UHFFFAOYSA-N

Diethyl (2-oxopropyl)phosphonate, 96%

CAS: 1067-71-6 Formula molecolare: C₇H₁₉O₄P Molecular Weight (g/mol): 198.2 Numero MDL: MFCD00044728 InChI Key: RSAFKRSMGOSHRK-UHFFFAOYSA-N Sinonimo: diethyl 2-oxopropyl phosphonate,diethyl acetonylphosphonate,diethyl 2-oxopropylphosphonate,acetonylphosphonic acid diethyl ester,2-oxopropyl phosphonic acid diethyl ester,phosphonic acid, 2-oxopropyl-, diethyl ester,aurora ka-1476,ksc490a4t,diethyl acetylmethylphosphonate PubChem CID: 14028 IUPAC Name: 1-diethoxyphosphorylpropan-2-one SMILES: CCOP(=O)(CC(=O)C)OCC

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Sinonimo	diethyl 2-oxopropyl phosphonate,diethyl acetonylphosphonate,diethyl 2-oxopropylphosphonate,acetonylphosphonic acid diethyl ester,2-oxopropyl phosphonic acid diethyl ester,phosphonic acid, 2-oxopropyl-, diethyl ester,aurora ka-1476,ksc490a4t,diethyl acetylmethylphosphonate
Numero MDL	MFCD00044728
PubChem CID	14028
Formula molecolare	C₇H₁₉O₄P
CAS	1067-71-6
Molecular Weight (g/mol)	198.2
SMILES	CCOP(=O)(CC(=O)C)OCC
IUPAC Name	1-diethoxyphosphorylpropan-2-one
InChI Key	RSAFKRSMGOSHRK-UHFFFAOYSA-N

Benzyl dimethyl phosphonoacetate, 98%

CAS: 57443-18-2 Formula molecolare: C₁₁H₁₅O₅P Molecular Weight (g/mol): 258.21 Numero MDL: MFCD01872507 InChI Key: QYLGNJMIOVHLQQ-UHFFFAOYSA-N Sinonimo: benzyl dimethylphosphonoacetate,benzyl 2-dimethoxyphosphoryl acetate,benzyl dimethyl phosphonoacetate,dimethyl benzyloxycarbonyl methyl phosphonate,acetic acid, dimethoxyphosphinyl-, phenylmethyl ester,acmc-209ly9,benzyl dimethylphosphonoethanoate,dimethyl cbz-methyl phosphonate,benzyl dimethoxyphosphoryl acetate,benzyl-2-dimethoxyphosphoryl acetate PubChem CID: 2773759 IUPAC Name: benzyl 2-dimethoxyphosphorylacetate SMILES: COP(=O)(CC(=O)OCC1=CC=CC=C1)OC

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Sinonimo	benzyl dimethylphosphonoacetate,benzyl 2-dimethoxyphosphoryl acetate,benzyl dimethyl phosphonoacetate,dimethyl benzyloxycarbonyl methyl phosphonate,acetic acid, dimethoxyphosphinyl-, phenylmethyl ester,acmc-209ly9,benzyl dimethylphosphonoethanoate,dimethyl cbz-methyl phosphonate,benzyl dimethoxyphosphoryl acetate,benzyl-2-dimethoxyphosphoryl acetate
Numero MDL	MFCD01872507
PubChem CID	2773759
Formula molecolare	C₁₁H₁₅O₅P
CAS	57443-18-2
Molecular Weight (g/mol)	258.21
SMILES	COP(=O)(CC(=O)OCC1=CC=CC=C1)OC
IUPAC Name	benzyl 2-dimethoxyphosphorylacetate
InChI Key	QYLGNJMIOVHLQQ-UHFFFAOYSA-N

Diethyl cyanomethylphosphonate, 96%

CAS: 2537-48-6 Formula molecolare: C6H12NO3P Molecular Weight (g/mol): 177.14 Numero MDL: MFCD00001893 InChI Key: KWMBADTWRIGGGG-UHFFFAOYSA-N Sinonimo: diethyl cyanomethylphosphonate,diethyl cyanomethyl phosphonate,diethylphosphono acetonitrile,cyanomethylphosphonic acid diethyl ester,diethylphosphonoacetonitrile,diethylcyanomethylphosphonate,diethyl cyanomethanephosphonate,phosphonic acid, cyanomethyl-, diethyl ester,cyanomethyl phosphonic acid diethyl ester PubChem CID: 75676 IUPAC Name: 2-diethoxyphosphorylacetonitrile SMILES: CCOP(=O)(CC#N)OCC

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Sinonimo	diethyl cyanomethylphosphonate,diethyl cyanomethyl phosphonate,diethylphosphono acetonitrile,cyanomethylphosphonic acid diethyl ester,diethylphosphonoacetonitrile,diethylcyanomethylphosphonate,diethyl cyanomethanephosphonate,phosphonic acid, cyanomethyl-, diethyl ester,cyanomethyl phosphonic acid diethyl ester
Numero MDL	MFCD00001893
PubChem CID	75676
Formula molecolare	C6H12NO3P
CAS	2537-48-6
Molecular Weight (g/mol)	177.14
SMILES	CCOP(=O)(CC#N)OCC
IUPAC Name	2-diethoxyphosphorylacetonitrile
InChI Key	KWMBADTWRIGGGG-UHFFFAOYSA-N

Benzylphosphonic acid, 97%

CAS: 6881-57-8 Formula molecolare: C7H7O3P Molecular Weight (g/mol): 170.11 Numero MDL: MFCD00039519 InChI Key: OGBVRMYSNSKIEF-UHFFFAOYSA-L Sinonimo: benzyl-phosphonic acid,phosphonic acid, phenylmethyl,phenylmethylphosphonic acid,phosphonic acid, p-phenylmethyl,phenyl-methanephosphonic acid anion,acmc-1b2tf,phenylmethanephosphonic acid,alpha-toluenephosphonic acid,benzylphosphonic acid,bmk1-h2 PubChem CID: 81312 IUPAC Name: benzylphosphonic acid SMILES: [O-]P([O-])(=O)CC1=CC=CC=C1

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Sinonimo	benzyl-phosphonic acid,phosphonic acid, phenylmethyl,phenylmethylphosphonic acid,phosphonic acid, p-phenylmethyl,phenyl-methanephosphonic acid anion,acmc-1b2tf,phenylmethanephosphonic acid,alpha-toluenephosphonic acid,benzylphosphonic acid,bmk1-h2
Numero MDL	MFCD00039519
PubChem CID	81312
Formula molecolare	C7H7O3P
CAS	6881-57-8
Molecular Weight (g/mol)	170.11
SMILES	[O-]P([O-])(=O)CC1=CC=CC=C1
IUPAC Name	benzylphosphonic acid
InChI Key	OGBVRMYSNSKIEF-UHFFFAOYSA-L

Tetraethyl methylenediphosphonate, 98+%

CAS: 1660-94-2 Formula molecolare: C9H22O6P2 Molecular Weight (g/mol): 288.22 Numero MDL: MFCD00039887 InChI Key: STJWVOQLJPNAQL-UHFFFAOYSA-N Sinonimo: tetraethyl methylenediphosphonate,tetraethyl methanediphosphonate,tetraethyl diphosphonomethane,methylenebis diethylphosphonate,tetraethyl methylenebisphosphonate,phosphonic acid, methylenebis-, tetraethyl ester,methylenebis diethoxyphosphine oxide,methylenebisphosphonic acid, tetraethyl ester,phosphonic acid, methylenedi-, tetraethyl ester,methylenedi phosphonic acid tetraethyl ester PubChem CID: 15455 SMILES: CCOP(=O)(CP(=O)(OCC)OCC)OCC

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Sinonimo	tetraethyl methylenediphosphonate,tetraethyl methanediphosphonate,tetraethyl diphosphonomethane,methylenebis diethylphosphonate,tetraethyl methylenebisphosphonate,phosphonic acid, methylenebis-, tetraethyl ester,methylenebis diethoxyphosphine oxide,methylenebisphosphonic acid, tetraethyl ester,phosphonic acid, methylenedi-, tetraethyl ester,methylenedi phosphonic acid tetraethyl ester
Numero MDL	MFCD00039887
PubChem CID	15455
Formula molecolare	C9H22O6P2
CAS	1660-94-2
Molecular Weight (g/mol)	288.22
SMILES	CCOP(=O)(CP(=O)(OCC)OCC)OCC
InChI Key	STJWVOQLJPNAQL-UHFFFAOYSA-N

Organic phosphonic acids and derivatives

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