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Phenylpropanoic acids

Organic compounds consisting of a carboxylic acid with the formula: C9H10O2; also known as hydrocinnamic acid. They are widely used in cosmetics, as food additives, and in the pharmaceutical industry.
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1

(S)-(-)-3-Hydroxy-3-phenylpropionic acid, 98+%

CAS: 36567-72-3 Formule moléculaire: C9H10O3 Poids moléculaire (g/mol): 166.176 Numéro MDL: MFCD00145262 Clé InChI: AYOLELPCNDVZKZ-QMMMGPOBSA-N Synonyme: s-3-hydroxy-3-phenylpropanoic acid,3s-3-hydroxy-3-phenylpropanoic acid,s-3-hydroxy-3-phenylpropionic acid,?-3-phenylhydracrylic acid,s---3-hydroxy-3-phenylpropionic acid,benzenepropanoic acid,,a-hydroxy-,,as,s---3-hydroxy-3-phenylpropionic acid, 98+%,unii-s2w4lws09c component,s-3-hydroxy-3-phenylpropionic acid sum of enantiomers, gc CID PubChem: 2735057 ChEBI: CHEBI:51058 Nom IUPAC: (3S)-3-hydroxy-3-phenylpropanoic acid SMILES: C1=CC=C(C=C1)C(CC(=O)O)O

Poids moléculaire (g/mol) 166.176
Synonyme s-3-hydroxy-3-phenylpropanoic acid,3s-3-hydroxy-3-phenylpropanoic acid,s-3-hydroxy-3-phenylpropionic acid,?-3-phenylhydracrylic acid,s---3-hydroxy-3-phenylpropionic acid,benzenepropanoic acid,,a-hydroxy-,,as,s---3-hydroxy-3-phenylpropionic acid, 98+%,unii-s2w4lws09c component,s-3-hydroxy-3-phenylpropionic acid sum of enantiomers, gc
Numéro MDL MFCD00145262
CAS 36567-72-3
CID PubChem 2735057
ChEBI CHEBI:51058
Nom IUPAC (3S)-3-hydroxy-3-phenylpropanoic acid
Clé InChI AYOLELPCNDVZKZ-QMMMGPOBSA-N
SMILES C1=CC=C(C=C1)C(CC(=O)O)O
Formule moléculaire C9H10O3
2

3-(4-Hydroxy-3-methoxyphenyl)propionic Acid 98.0+%, TCI America™

CAS: 1135-23-5 Formule moléculaire: C10H12O4 Poids moléculaire (g/mol): 196.202 Clé InChI: BOLQJTPHPSDZHR-UHFFFAOYSA-N Synonyme: 3-4-hydroxy-3-methoxyphenyl propanoic acid,3-4-hydroxy-3-methoxyphenyl propionic acid,dihydroferulic acid,hydroferulic acid,dihydroconiferylic acid,unii-o01rnc700m,benzenepropanoic acid, 4-hydroxy-3-methoxy,3-4-hydroxymethyl propionic acid,.beta.-4-hydroxy-3-methoxyphenyl propionic acid,3-4-hydroxy-3-methoxy-phenyl propanoic acid CID PubChem: 14340 ChEBI: CHEBI:86612 Nom IUPAC: 3-(4-hydroxy-3-methoxyphenyl)propanoic acid SMILES: COC1=C(C=CC(=C1)CCC(=O)O)O

Poids moléculaire (g/mol) 196.202
Synonyme 3-4-hydroxy-3-methoxyphenyl propanoic acid,3-4-hydroxy-3-methoxyphenyl propionic acid,dihydroferulic acid,hydroferulic acid,dihydroconiferylic acid,unii-o01rnc700m,benzenepropanoic acid, 4-hydroxy-3-methoxy,3-4-hydroxymethyl propionic acid,.beta.-4-hydroxy-3-methoxyphenyl propionic acid,3-4-hydroxy-3-methoxy-phenyl propanoic acid
CAS 1135-23-5
CID PubChem 14340
ChEBI CHEBI:86612
Nom IUPAC 3-(4-hydroxy-3-methoxyphenyl)propanoic acid
Clé InChI BOLQJTPHPSDZHR-UHFFFAOYSA-N
SMILES COC1=C(C=CC(=C1)CCC(=O)O)O
Formule moléculaire C10H12O4
3

alpha,alpha,alpha',alpha'-Tetramethyl-1,3-benzenedipropionic Acid 98.0+%, TCI America™

CAS: 819050-88-9 Formule moléculaire: C16H22O4 Poids moléculaire (g/mol): 278.35 Numéro MDL: MFCD08276874 Clé InChI: BZWQVGTVYGEXTE-UHFFFAOYSA-N Synonyme: 3,3′-(1,3-Phenylene)bis(2,2-dimethylpropanoic Acid) CID PubChem: 11204982 Nom IUPAC: 3-[3-(2-carboxy-2,2-dimethylethyl)phenyl]-2,2-dimethylpropanoic acid SMILES: CC(C)(CC1=CC(CC(C)(C)C(O)=O)=CC=C1)C(O)=O

Poids moléculaire (g/mol) 278.35
Synonyme 3,3′-(1,3-Phenylene)bis(2,2-dimethylpropanoic Acid)
Numéro MDL MFCD08276874
CAS 819050-88-9
CID PubChem 11204982
Nom IUPAC 3-[3-(2-carboxy-2,2-dimethylethyl)phenyl]-2,2-dimethylpropanoic acid
Clé InChI BZWQVGTVYGEXTE-UHFFFAOYSA-N
SMILES CC(C)(CC1=CC(CC(C)(C)C(O)=O)=CC=C1)C(O)=O
Formule moléculaire C16H22O4
4

2-Benzylacrylic Acid 98.0+%, TCI America™

CAS: 5669-19-2 Formule moléculaire: C10H10O2 Poids moléculaire (g/mol): 162.19 Numéro MDL: MFCD00854174 Clé InChI: RYNDYESLUKWOEE-UHFFFAOYSA-N Synonyme: 2-Methylene-3-phenylpropionic Acid CID PubChem: 303571 Nom IUPAC: 2-benzylprop-2-enoic acid SMILES: OC(=O)C(=C)CC1=CC=CC=C1

Poids moléculaire (g/mol) 162.19
Synonyme 2-Methylene-3-phenylpropionic Acid
Numéro MDL MFCD00854174
CAS 5669-19-2
CID PubChem 303571
Nom IUPAC 2-benzylprop-2-enoic acid
Clé InChI RYNDYESLUKWOEE-UHFFFAOYSA-N
SMILES OC(=O)C(=C)CC1=CC=CC=C1
Formule moléculaire C10H10O2
5

(S)-(+)-2-(4-Isobutylphenyl)propionic Acid 98.0+%, TCI America™

CAS: 51146-56-6 Formule moléculaire: C13H18O2 Poids moléculaire (g/mol): 206.285 Numéro MDL: MFCD00069289 Clé InChI: HEFNNWSXXWATRW-JTQLQIEISA-N Synonyme: s-+-ibuprofen,dexibuprofen,s +-ibuprofen,s-2-4-isobutylphenyl propanoic acid,s-ibuprofen,d-ibuproten,s-+-2-4-isobutylphenyl propionic acid,s-+-4-isobutyl-alpha-methylphenylacetic acid,+-s-p-isobutylhydratropic acid,seractil CID PubChem: 39912 ChEBI: CHEBI:43415 Nom IUPAC: (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O

Poids moléculaire (g/mol) 206.285
Synonyme s-+-ibuprofen,dexibuprofen,s +-ibuprofen,s-2-4-isobutylphenyl propanoic acid,s-ibuprofen,d-ibuproten,s-+-2-4-isobutylphenyl propionic acid,s-+-4-isobutyl-alpha-methylphenylacetic acid,+-s-p-isobutylhydratropic acid,seractil
Numéro MDL MFCD00069289
CAS 51146-56-6
CID PubChem 39912
ChEBI CHEBI:43415
Nom IUPAC (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid
Clé InChI HEFNNWSXXWATRW-JTQLQIEISA-N
SMILES CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
Formule moléculaire C13H18O2
6

3-(2-Methoxyphenyl)propionic Acid 98.0+%, TCI America™

CAS: 6342-77-4 Formule moléculaire: C10H12O3 Poids moléculaire (g/mol): 180.203 Numéro MDL: MFCD00002772 Clé InChI: XSZSNLOPIWWFHS-UHFFFAOYSA-N Synonyme: 3-2-methoxyphenyl propanoic acid,3-2-methoxyphenyl propionic acid,2-methoxyhydrocinnamic acid,benzenepropanoic acid, 2-methoxy,o-methoxyhydrocinnamic acid,3-o-methoxyphenyl propionic acid,2-methoxy-benzenepropanoic acid,beta-o-methoxyphenyl propionic acid,acmc-209nfi,maybridge1_000611 CID PubChem: 80652 Nom IUPAC: 3-(2-methoxyphenyl)propanoic acid SMILES: COC1=CC=CC=C1CCC(=O)O

Poids moléculaire (g/mol) 180.203
Synonyme 3-2-methoxyphenyl propanoic acid,3-2-methoxyphenyl propionic acid,2-methoxyhydrocinnamic acid,benzenepropanoic acid, 2-methoxy,o-methoxyhydrocinnamic acid,3-o-methoxyphenyl propionic acid,2-methoxy-benzenepropanoic acid,beta-o-methoxyphenyl propionic acid,acmc-209nfi,maybridge1_000611
Numéro MDL MFCD00002772
CAS 6342-77-4
CID PubChem 80652
Nom IUPAC 3-(2-methoxyphenyl)propanoic acid
Clé InChI XSZSNLOPIWWFHS-UHFFFAOYSA-N
SMILES COC1=CC=CC=C1CCC(=O)O
Formule moléculaire C10H12O3
7

Benzylmalonic Acid 98.0+%, TCI America™

CAS: 616-75-1 Formule moléculaire: C10H10O4 Poids moléculaire (g/mol): 194.19 Numéro MDL: MFCD00004261 Clé InChI: JAEJSNFTJMYIEF-UHFFFAOYSA-N CID PubChem: 12031 Nom IUPAC: 2-benzylpropanedioic acid SMILES: OC(=O)C(CC1=CC=CC=C1)C(O)=O

Poids moléculaire (g/mol) 194.19
Numéro MDL MFCD00004261
CAS 616-75-1
CID PubChem 12031
Nom IUPAC 2-benzylpropanedioic acid
Clé InChI JAEJSNFTJMYIEF-UHFFFAOYSA-N
SMILES OC(=O)C(CC1=CC=CC=C1)C(O)=O
Formule moléculaire C10H10O4
8

(S)-(+)-2-Phenylpropionic Acid 98.0+%, TCI America™

CAS: 7782-24-3 Formule moléculaire: C9H10O2 Poids moléculaire (g/mol): 150.177 Numéro MDL: MFCD00063139 Clé InChI: YPGCWEMNNLXISK-ZETCQYMHSA-N Synonyme: s-+-2-phenylpropionic acid,s-2-phenylpropanoic acid,2s-2-phenylpropanoic acid,s-hydratropic acid,+-hydratropic acid,s-2-phenyl-propionic acid,s-alpha-methylbenzeneacetic acid,s-2-phenylpropionic acid,s-+-hydratropic acid,unii-988109nfbc CID PubChem: 2724622 ChEBI: CHEBI:48527 Nom IUPAC: (2S)-2-phenylpropanoic acid SMILES: CC(C1=CC=CC=C1)C(=O)O

Poids moléculaire (g/mol) 150.177
Synonyme s-+-2-phenylpropionic acid,s-2-phenylpropanoic acid,2s-2-phenylpropanoic acid,s-hydratropic acid,+-hydratropic acid,s-2-phenyl-propionic acid,s-alpha-methylbenzeneacetic acid,s-2-phenylpropionic acid,s-+-hydratropic acid,unii-988109nfbc
Numéro MDL MFCD00063139
CAS 7782-24-3
CID PubChem 2724622
ChEBI CHEBI:48527
Nom IUPAC (2S)-2-phenylpropanoic acid
Clé InChI YPGCWEMNNLXISK-ZETCQYMHSA-N
SMILES CC(C1=CC=CC=C1)C(=O)O
Formule moléculaire C9H10O2
9

(R)-(-)-2-Phenylpropionic Acid 98.0+%, TCI America™

CAS: 7782-26-5 Formule moléculaire: C9H10O2 Poids moléculaire (g/mol): 150.177 Numéro MDL: MFCD00063140 Clé InChI: YPGCWEMNNLXISK-SSDOTTSWSA-N Synonyme: r---2-phenylpropionic acid,r-2-phenylpropanoic acid,2r-2-phenylpropanoic acid,r-hydratropic acid,--hydratropic acid,r---hydratropic acid,r---2-phenylpropionicacid,r-2-phenylpropionic acid,r-2-phenyl-propionic acid,r-2-phenyl-proprionic acid CID PubChem: 446626 ChEBI: CHEBI:43035 Nom IUPAC: (2R)-2-phenylpropanoic acid SMILES: CC(C1=CC=CC=C1)C(=O)O

Poids moléculaire (g/mol) 150.177
Synonyme r---2-phenylpropionic acid,r-2-phenylpropanoic acid,2r-2-phenylpropanoic acid,r-hydratropic acid,--hydratropic acid,r---hydratropic acid,r---2-phenylpropionicacid,r-2-phenylpropionic acid,r-2-phenyl-propionic acid,r-2-phenyl-proprionic acid
Numéro MDL MFCD00063140
CAS 7782-26-5
CID PubChem 446626
ChEBI CHEBI:43035
Nom IUPAC (2R)-2-phenylpropanoic acid
Clé InChI YPGCWEMNNLXISK-SSDOTTSWSA-N
SMILES CC(C1=CC=CC=C1)C(=O)O
Formule moléculaire C9H10O2
10

4-Aminohydrocinnamic Acid 98.0+%, TCI America™

CAS: 2393-17-1 Formule moléculaire: C9H11NO2 Poids moléculaire (g/mol): 165.192 Numéro MDL: MFCD00017118 Clé InChI: WXOHKMNWMKZMND-UHFFFAOYSA-N Synonyme: 3-4-aminophenyl propionic acid,3-4-aminophenyl propanoic acid,4-aminohydrocinnamic acid,benzenepropanoic acid, 4-amino,3-p-aminophenyl propionic acid,beta-p-aminophenyl propionic acid,p-aminohydrocinnamic acid,4-aminobenzenepropanoic acid,benzenepropanoic acid,4-amino,beta-4-aminophenyl propionic acid CID PubChem: 75451 Nom IUPAC: 3-(4-aminophenyl)propanoic acid SMILES: C1=CC(=CC=C1CCC(=O)O)N

Poids moléculaire (g/mol) 165.192
Synonyme 3-4-aminophenyl propionic acid,3-4-aminophenyl propanoic acid,4-aminohydrocinnamic acid,benzenepropanoic acid, 4-amino,3-p-aminophenyl propionic acid,beta-p-aminophenyl propionic acid,p-aminohydrocinnamic acid,4-aminobenzenepropanoic acid,benzenepropanoic acid,4-amino,beta-4-aminophenyl propionic acid
Numéro MDL MFCD00017118
CAS 2393-17-1
CID PubChem 75451
Nom IUPAC 3-(4-aminophenyl)propanoic acid
Clé InChI WXOHKMNWMKZMND-UHFFFAOYSA-N
SMILES C1=CC(=CC=C1CCC(=O)O)N
Formule moléculaire C9H11NO2
11

DL-2-Phenylpropionic Acid 98.0+%, TCI America™

CAS: 492-37-5 Formule moléculaire: C9H10O2 Poids moléculaire (g/mol): 150.177 Numéro MDL: MFCD00002650 Clé InChI: YPGCWEMNNLXISK-UHFFFAOYSA-N Synonyme: 2-phenylpropionic acid,hydratropic acid,dl-2-phenylpropionic acid,alpha-methylphenylacetic acid,2-phenyl-propionic acid,+/--2-phenylpropionic acid,alpha-methylbenzeneacetic acid,benzeneacetic acid, .alpha.-methyl,hydratropasaeure,alpha-phenylpropionic acid CID PubChem: 10296 ChEBI: CHEBI:48526 Nom IUPAC: 2-phenylpropanoic acid SMILES: CC(C1=CC=CC=C1)C(=O)O

Poids moléculaire (g/mol) 150.177
Synonyme 2-phenylpropionic acid,hydratropic acid,dl-2-phenylpropionic acid,alpha-methylphenylacetic acid,2-phenyl-propionic acid,+/--2-phenylpropionic acid,alpha-methylbenzeneacetic acid,benzeneacetic acid, .alpha.-methyl,hydratropasaeure,alpha-phenylpropionic acid
Numéro MDL MFCD00002650
CAS 492-37-5
CID PubChem 10296
ChEBI CHEBI:48526
Nom IUPAC 2-phenylpropanoic acid
Clé InChI YPGCWEMNNLXISK-UHFFFAOYSA-N
SMILES CC(C1=CC=CC=C1)C(=O)O
Formule moléculaire C9H10O2
12

2-(4-Isobutylphenyl)propionic Acid 98.0+%, TCI America™

CAS: 15687-27-1 Formule moléculaire: C13H18O2 Poids moléculaire (g/mol): 206.29 Numéro MDL: MFCD00010393 Clé InChI: HEFNNWSXXWATRW-UHFFFAOYNA-N Synonyme: ibuprofen,2-4-isobutylphenyl propanoic acid,motrin,brufen,nurofen,advil,dolgit,liptan,nuprin,anflagen CID PubChem: 3672 ChEBI: CHEBI:5855 Nom IUPAC: 2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(O)=O

Poids moléculaire (g/mol) 206.29
Synonyme ibuprofen,2-4-isobutylphenyl propanoic acid,motrin,brufen,nurofen,advil,dolgit,liptan,nuprin,anflagen
Numéro MDL MFCD00010393
CAS 15687-27-1
CID PubChem 3672
ChEBI CHEBI:5855
Nom IUPAC 2-[4-(2-methylpropyl)phenyl]propanoic acid
Clé InChI HEFNNWSXXWATRW-UHFFFAOYNA-N
SMILES CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
Formule moléculaire C13H18O2
13

2,3-Diphenylpropionic Acid 98.0+%, TCI America™

CAS: 3333-15-1 Formule moléculaire: C15H14O2 Poids moléculaire (g/mol): 226.28 Numéro MDL: MFCD00044405 Clé InChI: PCRICPYPVZKEBZ-UHFFFAOYNA-N CID PubChem: 18744 Nom IUPAC: 2,3-diphenylpropanoic acid SMILES: OC(=O)C(CC1=CC=CC=C1)C1=CC=CC=C1

Poids moléculaire (g/mol) 226.28
Numéro MDL MFCD00044405
CAS 3333-15-1
CID PubChem 18744
Nom IUPAC 2,3-diphenylpropanoic acid
Clé InChI PCRICPYPVZKEBZ-UHFFFAOYNA-N
SMILES OC(=O)C(CC1=CC=CC=C1)C1=CC=CC=C1
Formule moléculaire C15H14O2
14

3-(3-Trifluoromethylphenyl)propionic Acid 98.0+%, TCI America™

CAS: 585-50-2 Formule moléculaire: C10H9F3O2 Poids moléculaire (g/mol): 218.18 Numéro MDL: MFCD00090487 Clé InChI: YLTJJMIWCCJIHI-UHFFFAOYSA-N Synonyme: 3-3-trifluoromethyl phenyl propanoic acid,3-3-trifluoromethylphenyl propionic acid,benzenepropanoic acid, 3-trifluoromethyl,3-trifluoromethyl hydrocinnamic acid,unii-4u44xhh79h,3-3'-trifluoromethylphenyl-propionic acid,3-3-trifluoromethyl phenyl propionic acid,cinacalcet m5,m-trifluoromethyl hydrocinnamic acid CID PubChem: 2777683 Nom IUPAC: 3-[3-(trifluoromethyl)phenyl]propanoic acid SMILES: OC(=O)CCC1=CC(=CC=C1)C(F)(F)F

Poids moléculaire (g/mol) 218.18
Synonyme 3-3-trifluoromethyl phenyl propanoic acid,3-3-trifluoromethylphenyl propionic acid,benzenepropanoic acid, 3-trifluoromethyl,3-trifluoromethyl hydrocinnamic acid,unii-4u44xhh79h,3-3'-trifluoromethylphenyl-propionic acid,3-3-trifluoromethyl phenyl propionic acid,cinacalcet m5,m-trifluoromethyl hydrocinnamic acid
Numéro MDL MFCD00090487
CAS 585-50-2
CID PubChem 2777683
Nom IUPAC 3-[3-(trifluoromethyl)phenyl]propanoic acid
Clé InChI YLTJJMIWCCJIHI-UHFFFAOYSA-N
SMILES OC(=O)CCC1=CC(=CC=C1)C(F)(F)F
Formule moléculaire C10H9F3O2
15

3-Phenylpropionic Acid 98.0+%, TCI America™

CAS: 501-52-0 Formule moléculaire: C9H10O2 Poids moléculaire (g/mol): 150.177 Numéro MDL: MFCD00002771 Clé InChI: XMIIGOLPHOKFCH-UHFFFAOYSA-N Synonyme: hydrocinnamic acid,3-phenylpropionic acid,benzylacetic acid,benzenepropanoic acid,dihydrocinnamic acid,benzenepropionic acid,phenylpropanoic acid,3-phenyl-propionic acid,phenylpropanoate,beta-phenylpropionic acid CID PubChem: 107 ChEBI: CHEBI:28631 Nom IUPAC: 3-phenylpropanoic acid SMILES: C1=CC=C(C=C1)CCC(=O)O

Poids moléculaire (g/mol) 150.177
Synonyme hydrocinnamic acid,3-phenylpropionic acid,benzylacetic acid,benzenepropanoic acid,dihydrocinnamic acid,benzenepropionic acid,phenylpropanoic acid,3-phenyl-propionic acid,phenylpropanoate,beta-phenylpropionic acid
Numéro MDL MFCD00002771
CAS 501-52-0
CID PubChem 107
ChEBI CHEBI:28631
Nom IUPAC 3-phenylpropanoic acid
Clé InChI XMIIGOLPHOKFCH-UHFFFAOYSA-N
SMILES C1=CC=C(C=C1)CCC(=O)O
Formule moléculaire C9H10O2