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Carbonyl compounds

Organic compounds that contain one or more carbonyl (a carbon atom with a double bond to an oxygen atom) functional groups. Includes compounds with functional groups that contain a carbonyl in their structure such as ketones, aldehydes, and others.
Complex Ketones (2,887)
Complex Aldehydes (1,636)
Alpha beta-unsaturated carbonyl compounds (332)
Dicarbonyl Compounds (294)
Acyloins (22)
Alpha-acyloxy carbonyl compounds (2)

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Ricerca per parola chiave:
1 – 15 di 2,226 risultati
1

Ethyl acetoacetate, 99+%

CAS: 141-97-9 Formula molecolare: C6H10O3 Molecular Weight (g/mol): 130.143 Numero MDL: MFCD00009199 InChI Key: XYIBRDXRRQCHLP-UHFFFAOYSA-N Sinonimo: ethyl acetoacetate,ethyl acetylacetate,ethyl 3-oxobutyrate,diacetic ether,butanoic acid, 3-oxo-, ethyl ester,ethyl acetylacetonate,acetoacetic acid, ethyl ester,3-oxobutanoic acid ethyl ester,3-oxo-butyric acid ethyl ester,active acetylacetate PubChem CID: 8868 ChEBI: CHEBI:4893 IUPAC Name: ethyl 3-oxobutanoate SMILES: CCOC(=O)CC(=O)C

Sinonimo ethyl acetoacetate,ethyl acetylacetate,ethyl 3-oxobutyrate,diacetic ether,butanoic acid, 3-oxo-, ethyl ester,ethyl acetylacetonate,acetoacetic acid, ethyl ester,3-oxobutanoic acid ethyl ester,3-oxo-butyric acid ethyl ester,active acetylacetate
Numero MDL MFCD00009199
PubChem CID 8868
Formula molecolare C6H10O3
CAS 141-97-9
Molecular Weight (g/mol) 130.143
ChEBI CHEBI:4893
SMILES CCOC(=O)CC(=O)C
IUPAC Name ethyl 3-oxobutanoate
InChI Key XYIBRDXRRQCHLP-UHFFFAOYSA-N
2

Thermo Scientific Chemicals D-(+)-Maltose monohydrate, 95%

CAS: 6363-53-7 Formula molecolare: C12H24O12 Molecular Weight (g/mol): 360.31 Numero MDL: MFCD00149343 InChI Key: HBDJFVFTHLOSDW-UHFFFAOYNA-N Sinonimo: d-+-maltose monohydrate,unii-dm477ee40d,2r,3r,4r,5r-2,3,5,6-tetrahydroxy-4-2r,3r,4s,5s,6r-3,4,5-trihydroxy-6-hydroxymethyl oxan-2-yl oxy hexanal hydrate,beta-maltose monohydrate,d-+-maltosemonohydrate,69-79-4 anhydrous,d +-maltose monohydrate,d-+-maltose monohydrate, puriss.,d-+-maltose monohydrate, analytical standard,d-+-maltose monohydrate, bioxtra IUPAC Name: 2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal hydrate SMILES: O.OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C=O

EDGE
Sinonimo d-+-maltose monohydrate,unii-dm477ee40d,2r,3r,4r,5r-2,3,5,6-tetrahydroxy-4-2r,3r,4s,5s,6r-3,4,5-trihydroxy-6-hydroxymethyl oxan-2-yl oxy hexanal hydrate,beta-maltose monohydrate,d-+-maltosemonohydrate,69-79-4 anhydrous,d +-maltose monohydrate,d-+-maltose monohydrate, puriss.,d-+-maltose monohydrate, analytical standard,d-+-maltose monohydrate, bioxtra
Numero MDL MFCD00149343
Formula molecolare C12H24O12
CAS 6363-53-7
Molecular Weight (g/mol) 360.31
SMILES O.OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C=O
IUPAC Name 2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal hydrate
InChI Key HBDJFVFTHLOSDW-UHFFFAOYNA-N
3
Promozioni disponibili

3',5'-Dimethoxy-4'-hydroxyacetophenone, 97%

CAS: 2478-38-8 Formula molecolare: C10H12O4 Molecular Weight (g/mol): 196.20 Numero MDL: MFCD00008748 InChI Key: OJOBTAOGJIWAGB-UHFFFAOYSA-N Sinonimo: acetosyringone,3',5'-dimethoxy-4'-hydroxyacetophenone,1-4-hydroxy-3,5-dimethoxyphenyl ethanone,4'-hydroxy-3',5'-dimethoxyacetophenone,3,5-dimethoxy-4-hydroxyacetophenone,acetosyringon,ethanone, 1-4-hydroxy-3,5-dimethoxyphenyl,1-4-hydroxy-3,5-dimethoxyphenyl ethan-1-one,acetosyringenin,acetophenone, 4'-hydroxy-3',5'-dimethoxy PubChem CID: 17198 ChEBI: CHEBI:2404 IUPAC Name: 1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone SMILES: COC1=CC(=CC(OC)=C1O)C(C)=O

EDGE
Sinonimo acetosyringone,3',5'-dimethoxy-4'-hydroxyacetophenone,1-4-hydroxy-3,5-dimethoxyphenyl ethanone,4'-hydroxy-3',5'-dimethoxyacetophenone,3,5-dimethoxy-4-hydroxyacetophenone,acetosyringon,ethanone, 1-4-hydroxy-3,5-dimethoxyphenyl,1-4-hydroxy-3,5-dimethoxyphenyl ethan-1-one,acetosyringenin,acetophenone, 4'-hydroxy-3',5'-dimethoxy
Numero MDL MFCD00008748
PubChem CID 17198
Formula molecolare C10H12O4
CAS 2478-38-8
Molecular Weight (g/mol) 196.20
ChEBI CHEBI:2404
SMILES COC1=CC(=CC(OC)=C1O)C(C)=O
IUPAC Name 1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone
InChI Key OJOBTAOGJIWAGB-UHFFFAOYSA-N
4

Thermo Scientific Chemicals D-Fructose, 99%

CAS: 57-48-7 Formula molecolare: C6H12O6 Molecular Weight (g/mol): 180.156 Numero MDL: MFCD00148910 InChI Key: BJHIKXHVCXFQLS-UYFOZJQFSA-N Sinonimo: d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300 PubChem CID: 5984 ChEBI: CHEBI:48095 IUPAC Name: (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O

EDGE
Sinonimo d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300
Numero MDL MFCD00148910
PubChem CID 5984
Formula molecolare C6H12O6
CAS 57-48-7
Molecular Weight (g/mol) 180.156
ChEBI CHEBI:48095
SMILES C(C(C(C(C(=O)CO)O)O)O)O
IUPAC Name (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
InChI Key BJHIKXHVCXFQLS-UYFOZJQFSA-N
5

Malonic acid, 99%

CAS: 141-82-2 Formula molecolare: C3H4O4 Molecular Weight (g/mol): 104.061 Numero MDL: MFCD00002707 InChI Key: OFOBLEOULBTSOW-UHFFFAOYSA-N Sinonimo: malonic acid,dicarboxymethane,carboxyacetic acid,methanedicarboxylic acid,kyselina malonova,usaf ek-695,dicarboxylate,dicarboxylic acid,kyselina malonova czech,propanediolic acid PubChem CID: 867 ChEBI: CHEBI:30794 IUPAC Name: propanedioic acid SMILES: C(C(=O)O)C(=O)O

EDGE
Sinonimo malonic acid,dicarboxymethane,carboxyacetic acid,methanedicarboxylic acid,kyselina malonova,usaf ek-695,dicarboxylate,dicarboxylic acid,kyselina malonova czech,propanediolic acid
Numero MDL MFCD00002707
PubChem CID 867
Formula molecolare C3H4O4
CAS 141-82-2
Molecular Weight (g/mol) 104.061
ChEBI CHEBI:30794
SMILES C(C(=O)O)C(=O)O
IUPAC Name propanedioic acid
InChI Key OFOBLEOULBTSOW-UHFFFAOYSA-N
6

Glyoxal, 40% w/w aq. soln.

CAS: 107-22-2 Formula molecolare: C2H2O2 Molecular Weight (g/mol): 58.036 Numero MDL: MFCD00006957 InChI Key: LEQAOMBKQFMDFZ-UHFFFAOYSA-N Sinonimo: glyoxal,ethanedial,oxalaldehyde,1,2-ethanedione,glyoxylaldehyde,biformal,biformyl,diformal,diformyl,aerotex glyoxal 40 PubChem CID: 7860 ChEBI: CHEBI:34779 IUPAC Name: oxaldehyde SMILES: C(=O)C=O

EDGE
Sinonimo glyoxal,ethanedial,oxalaldehyde,1,2-ethanedione,glyoxylaldehyde,biformal,biformyl,diformal,diformyl,aerotex glyoxal 40
Numero MDL MFCD00006957
PubChem CID 7860
Formula molecolare C2H2O2
CAS 107-22-2
Molecular Weight (g/mol) 58.036
ChEBI CHEBI:34779
SMILES C(=O)C=O
IUPAC Name oxaldehyde
InChI Key LEQAOMBKQFMDFZ-UHFFFAOYSA-N
7

3-Ethoxy-4-hydroxybenzaldehyde, 98%

CAS: 121-32-4 Formula molecolare: C9H10O3 Molecular Weight (g/mol): 166.18 Numero MDL: MFCD00006944 InChI Key: CBOQJANXLMLOSS-UHFFFAOYSA-N Sinonimo: ethyl vanillin,ethylvanillin,bourbonal,ethylprotal,ethavan,ethovan,vanirom,vanilal,quantrovanil,vanillal PubChem CID: 8467 ChEBI: CHEBI:48408 IUPAC Name: 3-ethoxy-4-hydroxybenzaldehyde SMILES: CCOC1=CC(C=O)=CC=C1O

EDGE
Sinonimo ethyl vanillin,ethylvanillin,bourbonal,ethylprotal,ethavan,ethovan,vanirom,vanilal,quantrovanil,vanillal
Numero MDL MFCD00006944
PubChem CID 8467
Formula molecolare C9H10O3
CAS 121-32-4
Molecular Weight (g/mol) 166.18
ChEBI CHEBI:48408
SMILES CCOC1=CC(C=O)=CC=C1O
IUPAC Name 3-ethoxy-4-hydroxybenzaldehyde
InChI Key CBOQJANXLMLOSS-UHFFFAOYSA-N
8

5-(Hydroxymethyl)furfural, 98%

CAS: 67-47-0 Formula molecolare: C6H6O3 Molecular Weight (g/mol): 126.11 InChI Key: NOEGNKMFWQHSLB-UHFFFAOYSA-N Sinonimo: 5-hydroxymethylfurfural,5-hydroxymethyl-2-furaldehyde,5-hydroxymethyl furfural,5-hydroxymethyl furan-2-carbaldehyde,hydroxymethylfurfural,5-hydroxymethyl-2-furfural,5-oxymethylfurfurole,5-hydroxymethylfuraldehyde,hydroxymethylfurfurole PubChem CID: 237332 ChEBI: CHEBI:412516 IUPAC Name: 5-(hydroxymethyl)furan-2-carbaldehyde SMILES: C1=C(OC(=C1)C=O)CO

EDGE
Sinonimo 5-hydroxymethylfurfural,5-hydroxymethyl-2-furaldehyde,5-hydroxymethyl furfural,5-hydroxymethyl furan-2-carbaldehyde,hydroxymethylfurfural,5-hydroxymethyl-2-furfural,5-oxymethylfurfurole,5-hydroxymethylfuraldehyde,hydroxymethylfurfurole
PubChem CID 237332
Formula molecolare C6H6O3
CAS 67-47-0
Molecular Weight (g/mol) 126.11
ChEBI CHEBI:412516
SMILES C1=C(OC(=C1)C=O)CO
IUPAC Name 5-(hydroxymethyl)furan-2-carbaldehyde
InChI Key NOEGNKMFWQHSLB-UHFFFAOYSA-N
9
Promozioni disponibili

Ethyl acetoacetate, 99+%, extra pure

CAS: 141-97-9 Formula molecolare: C6H10O3 Molecular Weight (g/mol): 130.14 Numero MDL: MFCD00009199 InChI Key: XYIBRDXRRQCHLP-UHFFFAOYSA-N Sinonimo: ethyl acetoacetate,ethyl acetylacetate,ethyl 3-oxobutyrate,diacetic ether,butanoic acid, 3-oxo-, ethyl ester,ethyl acetylacetonate,acetoacetic acid, ethyl ester,3-oxobutanoic acid ethyl ester,3-oxo-butyric acid ethyl ester,active acetylacetate PubChem CID: 8868 ChEBI: CHEBI:4893 IUPAC Name: ethyl 3-oxobutanoate SMILES: CCOC(=O)CC(=O)C

EDGE
Sinonimo ethyl acetoacetate,ethyl acetylacetate,ethyl 3-oxobutyrate,diacetic ether,butanoic acid, 3-oxo-, ethyl ester,ethyl acetylacetonate,acetoacetic acid, ethyl ester,3-oxobutanoic acid ethyl ester,3-oxo-butyric acid ethyl ester,active acetylacetate
Numero MDL MFCD00009199
PubChem CID 8868
Formula molecolare C6H10O3
CAS 141-97-9
Molecular Weight (g/mol) 130.14
ChEBI CHEBI:4893
SMILES CCOC(=O)CC(=O)C
IUPAC Name ethyl 3-oxobutanoate
InChI Key XYIBRDXRRQCHLP-UHFFFAOYSA-N
10

tert-Butyl acetoacetate, 97%

CAS: 1694-31-1 Formula molecolare: C8H14O3 Molecular Weight (g/mol): 158.2 Numero MDL: MFCD00008811 InChI Key: JKUYRAMKJLMYLO-UHFFFAOYSA-N Sinonimo: tert-butyl acetoacetate,t-butyl acetoacetate,butanoic acid, 3-oxo-, 1,1-dimethylethyl ester,acetoacetic acid, tert-butyl ester,tert-butyl 3-oxobutyrate,acetoacetic acid tert-butyl ester,unii-1d3dos61gx,tbaa,1d3dos61gx,t-butylacetoacetate PubChem CID: 15538 IUPAC Name: tert-butyl 3-oxobutanoate SMILES: CC(=O)CC(=O)OC(C)(C)C

EDGE
Sinonimo tert-butyl acetoacetate,t-butyl acetoacetate,butanoic acid, 3-oxo-, 1,1-dimethylethyl ester,acetoacetic acid, tert-butyl ester,tert-butyl 3-oxobutyrate,acetoacetic acid tert-butyl ester,unii-1d3dos61gx,tbaa,1d3dos61gx,t-butylacetoacetate
Numero MDL MFCD00008811
PubChem CID 15538
Formula molecolare C8H14O3
CAS 1694-31-1
Molecular Weight (g/mol) 158.2
SMILES CC(=O)CC(=O)OC(C)(C)C
IUPAC Name tert-butyl 3-oxobutanoate
InChI Key JKUYRAMKJLMYLO-UHFFFAOYSA-N
11
Promozioni disponibili

2,6-Dichloroindophenol sodium salt hydrate

CAS: 1266615-56-8 Formula molecolare: C12H6Cl2NNaO2 Molecular Weight (g/mol): 290.07 Numero MDL: MFCD00150014 InChI Key: FHLDWQLHDYCXKI-UHFFFAOYSA-M Sinonimo: 2,6-dichloroindophenol sodium salt,2,6-dichlorophenolindophenol sodium salt,tillman's reagent,tillman's reagenz,dichlorphenol-indophenolnatrium,2,6-dichloroindophenol sodium,unii-kad7q8xo1y,sodium 2,6-dichloroindophenol,sodium 2,6-dichloroindophenolate,2,6-dichloroindophenol, sodium salt PubChem CID: 23697355 ChEBI: CHEBI:948 IUPAC Name: sodium;4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate SMILES: [Na+].[O-]C1=C(Cl)C=C(C=C1Cl)N=C1C=CC(=O)C=C1

EDGE
Sinonimo 2,6-dichloroindophenol sodium salt,2,6-dichlorophenolindophenol sodium salt,tillman's reagent,tillman's reagenz,dichlorphenol-indophenolnatrium,2,6-dichloroindophenol sodium,unii-kad7q8xo1y,sodium 2,6-dichloroindophenol,sodium 2,6-dichloroindophenolate,2,6-dichloroindophenol, sodium salt
Numero MDL MFCD00150014
PubChem CID 23697355
Formula molecolare C12H6Cl2NNaO2
CAS 1266615-56-8
Molecular Weight (g/mol) 290.07
ChEBI CHEBI:948
SMILES [Na+].[O-]C1=C(Cl)C=C(C=C1Cl)N=C1C=CC(=O)C=C1
IUPAC Name sodium;4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate
InChI Key FHLDWQLHDYCXKI-UHFFFAOYSA-M
12

2,6-Dichloroindophenol, sodium salt hydrate, 90+%

CAS: 1266615-56-8 Formula molecolare: C12H6Cl2NNaO2 Molecular Weight (g/mol): 290.07 Numero MDL: MFCD00150014 InChI Key: CVSUAFOWIXUYQA-UHFFFAOYSA-M Sinonimo: 2,6-dichloroindophenol sodium salt dihydrate,2,6-dichloro-4-4-hydroxyphenyl azamethylene cyclohexa-2,5-dien-1-one, oxamet hane, oxamethane, sodium salt,c12h6cl2no2.na.2h2o,2,6-dichlorophenol-indophenol sodium salt dihydrate,sodium 4-3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene amino phenolate dihydrate,sodium 4-3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene amino benzenolate dihydrate PubChem CID: 23696612 IUPAC Name: sodium;4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate;dihydrate SMILES: [Na+].[O-]C1=CC=C(C=C1)N=C1C=C(Cl)C(=O)C(Cl)=C1

EDGE
Sinonimo 2,6-dichloroindophenol sodium salt dihydrate,2,6-dichloro-4-4-hydroxyphenyl azamethylene cyclohexa-2,5-dien-1-one, oxamet hane, oxamethane, sodium salt,c12h6cl2no2.na.2h2o,2,6-dichlorophenol-indophenol sodium salt dihydrate,sodium 4-3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene amino phenolate dihydrate,sodium 4-3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene amino benzenolate dihydrate
Numero MDL MFCD00150014
PubChem CID 23696612
Formula molecolare C12H6Cl2NNaO2
CAS 1266615-56-8
Molecular Weight (g/mol) 290.07
SMILES [Na+].[O-]C1=CC=C(C=C1)N=C1C=C(Cl)C(=O)C(Cl)=C1
IUPAC Name sodium;4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate;dihydrate
InChI Key CVSUAFOWIXUYQA-UHFFFAOYSA-M
13
Promozioni disponibili

2'-Hydroxyacetophenone, 99%

CAS: 118-93-4 Molecular Weight (g/mol): 136.15 Numero MDL: MFCD00002219 InChI Key: JECYUBVRTQDVAT-UHFFFAOYSA-N Sinonimo: 2'-hydroxyacetophenone,2-acetylphenol,1-2-hydroxyphenyl ethanone,o-hydroxyacetophenone,o-acetylphenol,o-hydroxyphenyl methyl ketone,ethanone, 1-2-hydroxyphenyl,1-2-hydroxyphenyl ethan-1-one,acetophenone, 2'-hydroxy,2-hydroxyphenyl methyl ketone PubChem CID: 8375 IUPAC Name: 1-(2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC=CC=C1O

EDGE
Sinonimo 2'-hydroxyacetophenone,2-acetylphenol,1-2-hydroxyphenyl ethanone,o-hydroxyacetophenone,o-acetylphenol,o-hydroxyphenyl methyl ketone,ethanone, 1-2-hydroxyphenyl,1-2-hydroxyphenyl ethan-1-one,acetophenone, 2'-hydroxy,2-hydroxyphenyl methyl ketone
Numero MDL MFCD00002219
PubChem CID 8375
CAS 118-93-4
Molecular Weight (g/mol) 136.15
SMILES CC(=O)C1=CC=CC=C1O
IUPAC Name 1-(2-hydroxyphenyl)ethanone
InChI Key JECYUBVRTQDVAT-UHFFFAOYSA-N
14
Promozioni disponibili

D(-)-Fructose, Certified AR for Analysis, Fisher Chemical™

CAS: 57-48-7 Formula molecolare: C6H12O6 Molecular Weight (g/mol): 180.156 Numero MDL: 148910 InChI Key: BJHIKXHVCXFQLS-UYFOZJQFSA-N Sinonimo: d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300 PubChem CID: 5984 ChEBI: CHEBI:48095 IUPAC Name: (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O

EDGE
Sinonimo d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300
Numero MDL 148910
PubChem CID 5984
Formula molecolare C6H12O6
CAS 57-48-7
Molecular Weight (g/mol) 180.156
ChEBI CHEBI:48095
SMILES C(C(C(C(C(=O)CO)O)O)O)O
IUPAC Name (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
InChI Key BJHIKXHVCXFQLS-UYFOZJQFSA-N
15

3-Phenylpropionaldehyde, 95%

CAS: 104-53-0 Formula molecolare: C9H10O Molecular Weight (g/mol): 134.18 Numero MDL: MFCD00007021 InChI Key: YGCZTXZTJXYWCO-UHFFFAOYSA-N Sinonimo: benzenepropanal,3-phenylpropionaldehyde,hydrocinnamaldehyde,hydrocinnamic aldehyde,dihydrocinnamaldehyde,benzylacetaldehyde,3-phenyl-1-propanal,3-phenylpropylaldehyde,3-phenylpropyl aldehyde,propanal, phenyl PubChem CID: 7707 IUPAC Name: 3-phenylpropanal SMILES: C1=CC=C(C=C1)CCC=O

EDGE
Sinonimo benzenepropanal,3-phenylpropionaldehyde,hydrocinnamaldehyde,hydrocinnamic aldehyde,dihydrocinnamaldehyde,benzylacetaldehyde,3-phenyl-1-propanal,3-phenylpropylaldehyde,3-phenylpropyl aldehyde,propanal, phenyl
Numero MDL MFCD00007021
PubChem CID 7707
Formula molecolare C9H10O
CAS 104-53-0
Molecular Weight (g/mol) 134.18
SMILES C1=CC=C(C=C1)CCC=O
IUPAC Name 3-phenylpropanal
InChI Key YGCZTXZTJXYWCO-UHFFFAOYSA-N