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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Ibuprofen, 99%, Thermo Scientific Chemicals

CAS: 15687-27-1 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.29 MDL Number: MFCD00010393 InChI Key: HEFNNWSXXWATRW-UHFFFAOYNA-N PubChem CID: 3672 ChEBI: CHEBI:5855 IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(O)=O

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PubChem CID	3672
CAS	15687-27-1
Molecular Weight (g/mol)	206.29
ChEBI	CHEBI:5855
MDL Number	MFCD00010393
SMILES	CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
IUPAC Name	2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI Key	HEFNNWSXXWATRW-UHFFFAOYNA-N
Molecular Formula	C13H18O2

Ibuprofen, USP grade, MP Biomedicals™

CAS: 15687-27-1 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.29 MDL Number: MFCD00010393 InChI Key: HEFNNWSXXWATRW-UHFFFAOYNA-N Synonym: ibuprofen,2-4-isobutylphenyl propanoic acid,motrin,brufen,nurofen,advil,dolgit,liptan,nuprin,anflagen PubChem CID: 3672 ChEBI: CHEBI:5855 IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(O)=O

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Specifications

PubChem CID	3672
CAS	15687-27-1
Molecular Weight (g/mol)	206.29
ChEBI	CHEBI:5855
MDL Number	MFCD00010393
SMILES	CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
Synonym	ibuprofen,2-4-isobutylphenyl propanoic acid,motrin,brufen,nurofen,advil,dolgit,liptan,nuprin,anflagen
IUPAC Name	2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI Key	HEFNNWSXXWATRW-UHFFFAOYNA-N
Molecular Formula	C13H18O2

3-Phenylpropionic Acid 98.0+%, TCI America™

CAS: 501-52-0 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00002771 InChI Key: XMIIGOLPHOKFCH-UHFFFAOYSA-N Synonym: hydrocinnamic acid,3-phenylpropionic acid,benzylacetic acid,benzenepropanoic acid,dihydrocinnamic acid,benzenepropionic acid,phenylpropanoic acid,3-phenyl-propionic acid,phenylpropanoate,beta-phenylpropionic acid PubChem CID: 107 ChEBI: CHEBI:28631 IUPAC Name: 3-phenylpropanoic acid SMILES: C1=CC=C(C=C1)CCC(=O)O

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PubChem CID	107
CAS	501-52-0
Molecular Weight (g/mol)	150.177
ChEBI	CHEBI:28631
MDL Number	MFCD00002771
SMILES	C1=CC=C(C=C1)CCC(=O)O
Synonym	hydrocinnamic acid,3-phenylpropionic acid,benzylacetic acid,benzenepropanoic acid,dihydrocinnamic acid,benzenepropionic acid,phenylpropanoic acid,3-phenyl-propionic acid,phenylpropanoate,beta-phenylpropionic acid
IUPAC Name	3-phenylpropanoic acid
InChI Key	XMIIGOLPHOKFCH-UHFFFAOYSA-N
Molecular Formula	C9H10O2

4-Isobutyl-alpha-methylphenylacetic acid, 99%

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Specifications

PubChem CID	3672
CAS	15687-27-1
Molecular Weight (g/mol)	206.29
ChEBI	CHEBI:5855
MDL Number	MFCD00010393
SMILES	CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
Synonym	ibuprofen,2-4-isobutylphenyl propanoic acid,motrin,brufen,nurofen,advil,dolgit,liptan,nuprin,anflagen
IUPAC Name	2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI Key	HEFNNWSXXWATRW-UHFFFAOYNA-N
Molecular Formula	C13H18O2

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

CAS: 2768-42-5 Molecular Formula: C9H9O3 Molecular Weight (g/mol): 165.17 MDL Number: MFCD00145219 InChI Key: AYOLELPCNDVZKZ-MRVPVSSYSA-M Synonym: 3r-3-hydroxy-3-phenylpropanoic acid,r-3-hydroxy-3-phenylpropanoic acid,r-3-hydroxy-3-phenylpropionic acid,r-+-3-hydroxy-3-phenylpropionic acid,+-3-phenylhydracrylic acid,benzenepropanoic acid, b-hydroxy-, br,r-+-3-hydroxy-3-phenylpropanoic acid,benzenepropanoic acid,,a-hydroxy-,,ar,r-+-3-hydroxy-3-phenyl propionic acid,unii-s2w4lws09c component PubChem CID: 6950815 ChEBI: CHEBI:51059 IUPAC Name: (3R)-3-hydroxy-3-phenylpropanoic acid SMILES: O[C@H](CC([O-])=O)C1=CC=CC=C1

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PubChem CID	6950815
CAS	2768-42-5
Molecular Weight (g/mol)	165.17
ChEBI	CHEBI:51059
MDL Number	MFCD00145219
SMILES	O[C@H](CC([O-])=O)C1=CC=CC=C1
Synonym	3r-3-hydroxy-3-phenylpropanoic acid,r-3-hydroxy-3-phenylpropanoic acid,r-3-hydroxy-3-phenylpropionic acid,r-+-3-hydroxy-3-phenylpropionic acid,+-3-phenylhydracrylic acid,benzenepropanoic acid, b-hydroxy-, br,r-+-3-hydroxy-3-phenylpropanoic acid,benzenepropanoic acid,,a-hydroxy-,,ar,r-+-3-hydroxy-3-phenyl propionic acid,unii-s2w4lws09c component
IUPAC Name	(3R)-3-hydroxy-3-phenylpropanoic acid
InChI Key	AYOLELPCNDVZKZ-MRVPVSSYSA-M
Molecular Formula	C9H9O3

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3-(3,4-Dihydroxyphenyl)propionic acid, 98+%

CAS: 1078-61-1 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.175 MDL Number: MFCD00002776 InChI Key: DZAUWHJDUNRCTF-UHFFFAOYSA-N Synonym: dihydrocaffeic acid,3-3,4-dihydroxyphenyl propionic acid,hydrocaffeic acid,3,4-dihydroxyhydrocinnamic acid,3-3,4-dihydroxyphenyl propanoic acid,benzenepropanoic acid, 3,4-dihydroxy,hydrocaffeic acid polymer,hykop,3,4-dihydroxyhydrocinnamate,3,4-dihydroxybenzenepropionic acid PubChem CID: 348154 ChEBI: CHEBI:48400 IUPAC Name: 3-(3,4-dihydroxyphenyl)propanoic acid SMILES: C1=CC(=C(C=C1CCC(=O)O)O)O

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PubChem CID	348154
CAS	1078-61-1
Molecular Weight (g/mol)	182.175
ChEBI	CHEBI:48400
MDL Number	MFCD00002776
SMILES	C1=CC(=C(C=C1CCC(=O)O)O)O
Synonym	dihydrocaffeic acid,3-3,4-dihydroxyphenyl propionic acid,hydrocaffeic acid,3,4-dihydroxyhydrocinnamic acid,3-3,4-dihydroxyphenyl propanoic acid,benzenepropanoic acid, 3,4-dihydroxy,hydrocaffeic acid polymer,hykop,3,4-dihydroxyhydrocinnamate,3,4-dihydroxybenzenepropionic acid
IUPAC Name	3-(3,4-dihydroxyphenyl)propanoic acid
InChI Key	DZAUWHJDUNRCTF-UHFFFAOYSA-N
Molecular Formula	C9H10O4

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3,5-Di-tert-butyl-4-hydroxyphenylpropionic acid, 98%

CAS: 20170-32-5 MDL Number: MFCD00017519 Synonym: 3-3,5-di-tert-butyl-4-hydroxyphenyl propionic acid,3-3,5-di-tert-butyl-4-hydroxyphenyl propanoic acid,fenozan,3,5-di-tert-butyl-4-hydroxyphenylpropionic acid,benzenepropanoic acid, 3,5-bis 1,1-dimethylethyl-4-hydroxy,unii-x6g09g700f,3,5-di-tert-butyl-4-hydroxyhydocinnamic acid,3,5-bis 1,1-dimethylethyl-4-hydroxybenzenepropanoic acid,3-3,5-ditertbutyl-4-hydroxyphenyl propionic acid,3-3,5-bis tert-butyl-4-hydroxyphenyl propanoic acid PubChem CID: 88389 IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid

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PubChem CID	88389
CAS	20170-32-5
MDL Number	MFCD00017519
Synonym	3-3,5-di-tert-butyl-4-hydroxyphenyl propionic acid,3-3,5-di-tert-butyl-4-hydroxyphenyl propanoic acid,fenozan,3,5-di-tert-butyl-4-hydroxyphenylpropionic acid,benzenepropanoic acid, 3,5-bis 1,1-dimethylethyl-4-hydroxy,unii-x6g09g700f,3,5-di-tert-butyl-4-hydroxyhydocinnamic acid,3,5-bis 1,1-dimethylethyl-4-hydroxybenzenepropanoic acid,3-3,5-ditertbutyl-4-hydroxyphenyl propionic acid,3-3,5-bis tert-butyl-4-hydroxyphenyl propanoic acid
IUPAC Name	3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid

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DL-Phenylsuccinic acid, 98+%

CAS: 635-51-8 Molecular Formula: C₁₀H₁₀O₄ Molecular Weight (g/mol): 194.19 MDL Number: MFCD00004256 InChI Key: LVFFZQQWIZURIO-UHFFFAOYSA-N Synonym: phenylsuccinic acid,dl-phenylsuccinic acid,2-phenylsuccinic acid,phenyl succinic acid,butanedioic acid, phenyl,succinic acid, phenyl,2-phenylsuccinate,.alpha.-phenylsuccinic acid,phenylsuccinate,butanedioic acid, 2-phenyl PubChem CID: 95459 IUPAC Name: 2-phenylbutanedioic acid SMILES: C1=CC=C(C=C1)C(CC(=O)O)C(=O)O

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PubChem CID	95459
CAS	635-51-8
Molecular Weight (g/mol)	194.19
MDL Number	MFCD00004256
SMILES	C1=CC=C(C=C1)C(CC(=O)O)C(=O)O
Synonym	phenylsuccinic acid,dl-phenylsuccinic acid,2-phenylsuccinic acid,phenyl succinic acid,butanedioic acid, phenyl,succinic acid, phenyl,2-phenylsuccinate,.alpha.-phenylsuccinic acid,phenylsuccinate,butanedioic acid, 2-phenyl
IUPAC Name	2-phenylbutanedioic acid
InChI Key	LVFFZQQWIZURIO-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₀O₄

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

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Specifications

PubChem CID	3672
CAS	15687-27-1
Molecular Weight (g/mol)	206.29
ChEBI	CHEBI:5855
MDL Number	MFCD00010393
SMILES	CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
Synonym	ibuprofen,2-4-isobutylphenyl propanoic acid,motrin,brufen,nurofen,advil,dolgit,liptan,nuprin,anflagen
IUPAC Name	2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI Key	HEFNNWSXXWATRW-UHFFFAOYNA-N
Molecular Formula	C13H18O2

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3-(4-Chloro-3-fluorophenyl)propionic acid, 96%

CAS: 881189-65-7 Molecular Formula: C9H8ClFO2 Molecular Weight (g/mol): 202.609 MDL Number: MFCD04116058 InChI Key: GDXMVKNNJGWZFN-UHFFFAOYSA-N Synonym: 3-4-chloro-3-fluorophenyl propionic acid,3-4-chloro-3-fluorophenyl propanoic acid,benzenepropanoic acid, 4-chloro-3-fluoro,3-4-chloro-3-fluoro-phenyl-propionic acid,4-chloro-3-fluorobenzenepropanoic acid,3-4-chloro-3-fluorophenyl propionicacid PubChem CID: 4680108 IUPAC Name: 3-(4-chloro-3-fluorophenyl)propanoic acid SMILES: C1=CC(=C(C=C1CCC(=O)O)F)Cl

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PubChem CID	4680108
CAS	881189-65-7
Molecular Weight (g/mol)	202.609
MDL Number	MFCD04116058
SMILES	C1=CC(=C(C=C1CCC(=O)O)F)Cl
Synonym	3-4-chloro-3-fluorophenyl propionic acid,3-4-chloro-3-fluorophenyl propanoic acid,benzenepropanoic acid, 4-chloro-3-fluoro,3-4-chloro-3-fluoro-phenyl-propionic acid,4-chloro-3-fluorobenzenepropanoic acid,3-4-chloro-3-fluorophenyl propionicacid
IUPAC Name	3-(4-chloro-3-fluorophenyl)propanoic acid
InChI Key	GDXMVKNNJGWZFN-UHFFFAOYSA-N
Molecular Formula	C9H8ClFO2

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3-[4-(Benzyloxy)phenyl]propionic acid, 96%

CAS: 50463-48-4 Molecular Formula: C16H16O3 Molecular Weight (g/mol): 256.301 MDL Number: MFCD01570264 InChI Key: QTSAUVQZNADEKS-UHFFFAOYSA-N Synonym: 3-4-benzyloxyphenyl propionic acid,3-4-benzyloxy phenyl propanoic acid,3-4-benzyloxy phenyl propionic acid,benzyloxyphenylpropanoic acid,3-4-benzyloxyphenyl propanoic acid,3-4-benzyloxy-phenyl-propionic acid,benzenepropanoic acid, 4-phenylmethoxy,maybridge3_003480,4-benzyloxy benzenepropanoic acid PubChem CID: 561372 IUPAC Name: 3-(4-phenylmethoxyphenyl)propanoic acid SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)CCC(=O)O

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PubChem CID	561372
CAS	50463-48-4
Molecular Weight (g/mol)	256.301
MDL Number	MFCD01570264
SMILES	C1=CC=C(C=C1)COC2=CC=C(C=C2)CCC(=O)O
Synonym	3-4-benzyloxyphenyl propionic acid,3-4-benzyloxy phenyl propanoic acid,3-4-benzyloxy phenyl propionic acid,benzyloxyphenylpropanoic acid,3-4-benzyloxyphenyl propanoic acid,3-4-benzyloxy-phenyl-propionic acid,benzenepropanoic acid, 4-phenylmethoxy,maybridge3_003480,4-benzyloxy benzenepropanoic acid
IUPAC Name	3-(4-phenylmethoxyphenyl)propanoic acid
InChI Key	QTSAUVQZNADEKS-UHFFFAOYSA-N
Molecular Formula	C16H16O3

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(R)-(-)-2-Phenylpropionic acid, 99%

CAS: 7782-26-5 Molecular Formula: C₉H₁₀O₂ Molecular Weight (g/mol): 150.18 MDL Number: MFCD00063140 InChI Key: YPGCWEMNNLXISK-SSDOTTSWSA-N Synonym: 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 PubChem CID: 446626 ChEBI: CHEBI:43035 IUPAC Name: (2R)-2-phenylpropanoic acid SMILES: CC(C1=CC=CC=C1)C(=O)O

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PubChem CID	446626
CAS	7782-26-5
Molecular Weight (g/mol)	150.18
ChEBI	CHEBI:43035
MDL Number	MFCD00063140
SMILES	CC(C1=CC=CC=C1)C(=O)O
Synonym	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
IUPAC Name	(2R)-2-phenylpropanoic acid
InChI Key	YPGCWEMNNLXISK-SSDOTTSWSA-N
Molecular Formula	C₉H₁₀O₂

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4-Chloro-alpha-methylphenylacetic acid, 97%

CAS: 938-95-4 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.619 MDL Number: MFCD00044670 InChI Key: YOZILQVNIWNPFP-UHFFFAOYSA-N Synonym: 2-4-chlorophenyl propanoic acid,4-chloro-alpha-methylphenylacetic acid,dl-2-4-chlorophenyl propan-oic acid,dl-p-chloro-.alpha.-methylphenylacetic acid,benzeneacetic acid, 4-chloro-.alpha.-methyl,dl-2-4-chlorophenyl propanoic acid,2-4-chloro-phenyl-propionic acid,dl-4-chloro-alpha-methylphenylacetic acid,?-p-chlorohydratropic acid,4-chloro methylphenylacetic acid PubChem CID: 102525 IUPAC Name: 2-(4-chlorophenyl)propanoic acid SMILES: CC(C1=CC=C(C=C1)Cl)C(=O)O

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Specifications

PubChem CID	102525
CAS	938-95-4
Molecular Weight (g/mol)	184.619
MDL Number	MFCD00044670
SMILES	CC(C1=CC=C(C=C1)Cl)C(=O)O
Synonym	2-4-chlorophenyl propanoic acid,4-chloro-alpha-methylphenylacetic acid,dl-2-4-chlorophenyl propan-oic acid,dl-p-chloro-.alpha.-methylphenylacetic acid,benzeneacetic acid, 4-chloro-.alpha.-methyl,dl-2-4-chlorophenyl propanoic acid,2-4-chloro-phenyl-propionic acid,dl-4-chloro-alpha-methylphenylacetic acid,?-p-chlorohydratropic acid,4-chloro methylphenylacetic acid
IUPAC Name	2-(4-chlorophenyl)propanoic acid
InChI Key	YOZILQVNIWNPFP-UHFFFAOYSA-N
Molecular Formula	C9H9ClO2

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L(-)-3-Phenyllactic acid, 98%

CAS: 20312-36-1 Molecular Formula: C9H9O3 Molecular Weight (g/mol): 165.17 MDL Number: MFCD00004244 InChI Key: VOXXWSYKYCBWHO-QMMMGPOBSA-M Synonym: l---3-phenyllactic acid,s-2-hydroxy-3-phenylpropionic acid,s-2-hydroxy-3-phenylpropanoic acid,l--3-phenyllactic acid,s---3-phenyllactic acid,l-3-phenyllactic acid,d-3-phenyllactic acid,2s-2-hydroxy-3-phenylpropanoic acid,s-3-phenyllactic acid,s---2-hydroxy-3-phenylpropionic acid PubChem CID: 444718 ChEBI: CHEBI:43065 IUPAC Name: (2S)-2-hydroxy-3-phenylpropanoic acid SMILES: O[C@@H](CC1=CC=CC=C1)C([O-])=O

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PubChem CID	444718
CAS	20312-36-1
Molecular Weight (g/mol)	165.17
ChEBI	CHEBI:43065
MDL Number	MFCD00004244
SMILES	O[C@@H](CC1=CC=CC=C1)C([O-])=O
Synonym	l---3-phenyllactic acid,s-2-hydroxy-3-phenylpropionic acid,s-2-hydroxy-3-phenylpropanoic acid,l--3-phenyllactic acid,s---3-phenyllactic acid,l-3-phenyllactic acid,d-3-phenyllactic acid,2s-2-hydroxy-3-phenylpropanoic acid,s-3-phenyllactic acid,s---2-hydroxy-3-phenylpropionic acid
IUPAC Name	(2S)-2-hydroxy-3-phenylpropanoic acid
InChI Key	VOXXWSYKYCBWHO-QMMMGPOBSA-M
Molecular Formula	C9H9O3

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DL-3-Phenyllactic acid, 97%

CAS: 828-01-3 Molecular Formula: C₉H₁₀O₃ Molecular Weight (g/mol): 166.18 MDL Number: MFCD00065928 InChI Key: VOXXWSYKYCBWHO-UHFFFAOYSA-N Synonym: dl-3-phenyllactic acid,3-phenyllactic acid,dl-beta-phenyllactic acid,b-phenyllactic acid,2-hydroxy-3-phenyl-propionic acid,3-phenyllactate,2-hydroxy-3-phenylpropionic acid,+--3-phenyllactic acid,dl-phenyllactic acid,beta-phenyllactic acid PubChem CID: 3848 ChEBI: CHEBI:25998 IUPAC Name: 2-hydroxy-3-phenylpropanoic acid SMILES: C1=CC=C(C=C1)CC(C(=O)O)O

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Specifications

PubChem CID	3848
CAS	828-01-3
Molecular Weight (g/mol)	166.18
ChEBI	CHEBI:25998
MDL Number	MFCD00065928
SMILES	C1=CC=C(C=C1)CC(C(=O)O)O
Synonym	dl-3-phenyllactic acid,3-phenyllactic acid,dl-beta-phenyllactic acid,b-phenyllactic acid,2-hydroxy-3-phenyl-propionic acid,3-phenyllactate,2-hydroxy-3-phenylpropionic acid,+--3-phenyllactic acid,dl-phenyllactic acid,beta-phenyllactic acid
IUPAC Name	2-hydroxy-3-phenylpropanoic acid
InChI Key	VOXXWSYKYCBWHO-UHFFFAOYSA-N
Molecular Formula	C₉H₁₀O₃

Phenylpropanoic acids

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