Phenylpropanoids and polyketides
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4-Isobutyl-alpha-methylphenylacetic acid, 99%
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
| 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-(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
| 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 |
(+/-)-Phenylsuccinic acid, 98%
CAS: 635-51-8 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 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
| PubChem CID | 95459 |
|---|---|
| CAS | 635-51-8 |
| Molecular Weight (g/mol) | 194.186 |
| 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 |
Hydrocinnamic acid, 99%
CAS: 501-52-0 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 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
| PubChem CID | 107 |
|---|---|
| CAS | 501-52-0 |
| Molecular Weight (g/mol) | 150.18 |
| 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 |
Salicylsalicylic acid, 98%
CAS: 552-94-3 Molecular Formula: C14H10O5 Molecular Weight (g/mol): 258.22 MDL Number: MFCD00020252 InChI Key: WVYADZUPLLSGPU-UHFFFAOYSA-N Synonym: salsalate,sasapyrine,salicylsalicylic acid,disalicylic acid,disalcid,sasapyrinum,saloxium,2-carboxyphenyl salicylate,salina,diacesal PubChem CID: 5161 ChEBI: CHEBI:9014 IUPAC Name: 2-(2-hydroxybenzoyl)oxybenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2C(=O)O)O
| PubChem CID | 5161 |
|---|---|
| CAS | 552-94-3 |
| Molecular Weight (g/mol) | 258.22 |
| ChEBI | CHEBI:9014 |
| MDL Number | MFCD00020252 |
| SMILES | C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2C(=O)O)O |
| Synonym | salsalate,sasapyrine,salicylsalicylic acid,disalicylic acid,disalcid,sasapyrinum,saloxium,2-carboxyphenyl salicylate,salina,diacesal |
| IUPAC Name | 2-(2-hydroxybenzoyl)oxybenzoic acid |
| InChI Key | WVYADZUPLLSGPU-UHFFFAOYSA-N |
| Molecular Formula | C14H10O5 |
Acetylsalicylsalicylic acid, 97%
CAS: 530-75-6 Molecular Formula: C16H12O6 Molecular Weight (g/mol): 300.26 MDL Number: MFCD00143537 InChI Key: DDSFKIFGAPZBSR-UHFFFAOYSA-N Synonym: 2-2-acetoxybenzoyl oxy benzoic acid,acetylsalicylsalicylic acid,acesalum,acetylsalicylsalicyic acid,diplosal acetate,unii-vbe72mcp5l,2-carboxyphenyl 2-acetyloxy benzoate,diplosalsalate,ccris 1740,benzoic acid, 2-acetyloxy-, 2-carboxyphenyl ester PubChem CID: 10745 IUPAC Name: 2-(2-acetyloxybenzoyl)oxybenzoic acid SMILES: CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=CC=C2C(=O)O
| PubChem CID | 10745 |
|---|---|
| CAS | 530-75-6 |
| Molecular Weight (g/mol) | 300.26 |
| MDL Number | MFCD00143537 |
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=CC=C2C(=O)O |
| Synonym | 2-2-acetoxybenzoyl oxy benzoic acid,acetylsalicylsalicylic acid,acesalum,acetylsalicylsalicyic acid,diplosal acetate,unii-vbe72mcp5l,2-carboxyphenyl 2-acetyloxy benzoate,diplosalsalate,ccris 1740,benzoic acid, 2-acetyloxy-, 2-carboxyphenyl ester |
| IUPAC Name | 2-(2-acetyloxybenzoyl)oxybenzoic acid |
| InChI Key | DDSFKIFGAPZBSR-UHFFFAOYSA-N |
| Molecular Formula | C16H12O6 |
trans-4-Hydroxycinnamic acid, 98%
CAS: 501-98-4 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00004399 InChI Key: NGSWKAQJJWESNS-ZZXKWVIFSA-N Synonym: p-coumaric acid,4-hydroxycinnamic acid,p-hydroxycinnamic acid,4-coumaric acid,trans-4-hydroxycinnamic acid,trans-p-coumaric acid,p-cumaric acid,3-4-hydroxyphenyl acrylic acid,para-coumaric acid,hydroxycinnamic acid PubChem CID: 637542 ChEBI: CHEBI:32374 IUPAC Name: (E)-3-(4-hydroxyphenyl)prop-2-enoic acid SMILES: C1=CC(=CC=C1C=CC(=O)O)O
| PubChem CID | 637542 |
|---|---|
| CAS | 501-98-4 |
| Molecular Weight (g/mol) | 164.16 |
| ChEBI | CHEBI:32374 |
| MDL Number | MFCD00004399 |
| SMILES | C1=CC(=CC=C1C=CC(=O)O)O |
| Synonym | p-coumaric acid,4-hydroxycinnamic acid,p-hydroxycinnamic acid,4-coumaric acid,trans-4-hydroxycinnamic acid,trans-p-coumaric acid,p-cumaric acid,3-4-hydroxyphenyl acrylic acid,para-coumaric acid,hydroxycinnamic acid |
| IUPAC Name | (E)-3-(4-hydroxyphenyl)prop-2-enoic acid |
| InChI Key | NGSWKAQJJWESNS-ZZXKWVIFSA-N |
| Molecular Formula | C9H8O3 |
(+/-)-2-Phenylpropionic acid, 98%
CAS: 492-37-5 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00002650 InChI Key: YPGCWEMNNLXISK-UHFFFAOYSA-N Synonym: 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 PubChem CID: 10296 ChEBI: CHEBI:48526 IUPAC Name: 2-phenylpropanoic acid SMILES: CC(C1=CC=CC=C1)C(=O)O
| PubChem CID | 10296 |
|---|---|
| CAS | 492-37-5 |
| Molecular Weight (g/mol) | 150.177 |
| ChEBI | CHEBI:48526 |
| MDL Number | MFCD00002650 |
| SMILES | CC(C1=CC=CC=C1)C(=O)O |
| Synonym | 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 |
| IUPAC Name | 2-phenylpropanoic acid |
| InChI Key | YPGCWEMNNLXISK-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
4-Fluorocinnamic acid, 98+%
CAS: 459-32-5 Molecular Formula: C9H7FO2 Molecular Weight (g/mol): 166.151 MDL Number: MFCD00004395 InChI Key: ISMMYAZSUSYVQG-ZZXKWVIFSA-N Synonym: 4-fluorocinnamic acid,e-3-4-fluorophenyl acrylic acid,2e-3-4-fluorophenyl prop-2-enoic acid,p-fluorocinnamic acid,3-4-fluorophenyl acrylic acid,e-p-fluorocinnamic acid,trans-4-fluorocinnamic acid,p-fluoro cinnamic acid,3-4-fluorophenyl prop-2-enoic acid,2-propenoic acid, 3-4-fluorophenyl-, 2e PubChem CID: 1530234 IUPAC Name: (E)-3-(4-fluorophenyl)prop-2-enoic acid SMILES: C1=CC(=CC=C1C=CC(=O)O)F
| PubChem CID | 1530234 |
|---|---|
| CAS | 459-32-5 |
| Molecular Weight (g/mol) | 166.151 |
| MDL Number | MFCD00004395 |
| SMILES | C1=CC(=CC=C1C=CC(=O)O)F |
| Synonym | 4-fluorocinnamic acid,e-3-4-fluorophenyl acrylic acid,2e-3-4-fluorophenyl prop-2-enoic acid,p-fluorocinnamic acid,3-4-fluorophenyl acrylic acid,e-p-fluorocinnamic acid,trans-4-fluorocinnamic acid,p-fluoro cinnamic acid,3-4-fluorophenyl prop-2-enoic acid,2-propenoic acid, 3-4-fluorophenyl-, 2e |
| IUPAC Name | (E)-3-(4-fluorophenyl)prop-2-enoic acid |
| InChI Key | ISMMYAZSUSYVQG-ZZXKWVIFSA-N |
| Molecular Formula | C9H7FO2 |
3,4-Dichlorocinnamic acid, 97%
CAS: 1202-39-7 Molecular Formula: C9H6Cl2O2 Molecular Weight (g/mol): 217.045 MDL Number: MFCD00004385 InChI Key: RRLUFPHCTSFKNR-DUXPYHPUSA-N Synonym: 3,4-dichlorocinnamic acid,e-3-3,4-dichlorophenyl acrylic acid,3',4'-dichlorocinnamic acid,2-propenoic acid, 3-3,4-dichlorophenyl,cinnamic acid, 3,4-dichloro,3-3,4-dichlorophenyl acrylic acid,2e-3-3,4-dichlorophenyl prop-2-enoic acid,3-3,4-dichlorophenyl-2-propenoic acid,e-3-3,4-dichlorophenyl prop-2-enoic acid,2e-3-3,4-dichlorophenyl acrylic acid PubChem CID: 688027 IUPAC Name: (E)-3-(3,4-dichlorophenyl)prop-2-enoic acid SMILES: C1=CC(=C(C=C1C=CC(=O)O)Cl)Cl
| PubChem CID | 688027 |
|---|---|
| CAS | 1202-39-7 |
| Molecular Weight (g/mol) | 217.045 |
| MDL Number | MFCD00004385 |
| SMILES | C1=CC(=C(C=C1C=CC(=O)O)Cl)Cl |
| Synonym | 3,4-dichlorocinnamic acid,e-3-3,4-dichlorophenyl acrylic acid,3',4'-dichlorocinnamic acid,2-propenoic acid, 3-3,4-dichlorophenyl,cinnamic acid, 3,4-dichloro,3-3,4-dichlorophenyl acrylic acid,2e-3-3,4-dichlorophenyl prop-2-enoic acid,3-3,4-dichlorophenyl-2-propenoic acid,e-3-3,4-dichlorophenyl prop-2-enoic acid,2e-3-3,4-dichlorophenyl acrylic acid |
| IUPAC Name | (E)-3-(3,4-dichlorophenyl)prop-2-enoic acid |
| InChI Key | RRLUFPHCTSFKNR-DUXPYHPUSA-N |
| Molecular Formula | C9H6Cl2O2 |
4-Dimethylaminocinnamic acid, 97+%
CAS: 1552-96-1 Molecular Formula: C11H13NO2 Molecular Weight (g/mol): 191.23 MDL Number: MFCD00004397 InChI Key: CQNPVMCASGWEHM-VMPITWQZSA-N Synonym: 4-dimethylamino cinnamic acid,4-dimethylaminocinnamic acid,p-dimethylamino cinnamic acid,3-4-dimethylamino phenyl acrylic acid,4-n,n-dimethylamino cinnamic acid,2e-3-4-dimethylamino phenyl prop-2-enoic acid,e-3-4-dimethylaminophenyl prop-2-enoic acid,e-3-4-dimethylamino phenyl acrylic acid PubChem CID: 1540638 IUPAC Name: (E)-3-[4-(dimethylamino)phenyl]prop-2-enoic acid SMILES: CN(C)C1=CC=C(C=C1)C=CC(=O)O
| PubChem CID | 1540638 |
|---|---|
| CAS | 1552-96-1 |
| Molecular Weight (g/mol) | 191.23 |
| MDL Number | MFCD00004397 |
| SMILES | CN(C)C1=CC=C(C=C1)C=CC(=O)O |
| Synonym | 4-dimethylamino cinnamic acid,4-dimethylaminocinnamic acid,p-dimethylamino cinnamic acid,3-4-dimethylamino phenyl acrylic acid,4-n,n-dimethylamino cinnamic acid,2e-3-4-dimethylamino phenyl prop-2-enoic acid,e-3-4-dimethylaminophenyl prop-2-enoic acid,e-3-4-dimethylamino phenyl acrylic acid |
| IUPAC Name | (E)-3-[4-(dimethylamino)phenyl]prop-2-enoic acid |
| InChI Key | CQNPVMCASGWEHM-VMPITWQZSA-N |
| Molecular Formula | C11H13NO2 |
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
| 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 |
alpha-Methylcinnamic acid, 99%
CAS: 1199-77-5 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00002652 InChI Key: XNCRUNXWPDJHGV-BQYQJAHWSA-N Synonym: alpha-methylcinnamic acid,2-methyl-3-phenylacrylic acid,2e-2-methyl-3-phenylprop-2-enoic acid,a-methylcinnamic acid,2e-2-methyl-3-phenylacrylic acid,.alpha.-methylcinnamic acid,e-2-methyl-3-phenylacrylic acid,2-propenoic acid, 2-methyl-3-phenyl,alpha-methyl cinnamic acid,e-2-methyl-3-phenylprop-2-enoic acid PubChem CID: 637817 IUPAC Name: (E)-2-methyl-3-phenylprop-2-enoic acid SMILES: C\C(=C/C1=CC=CC=C1)C(O)=O
| PubChem CID | 637817 |
|---|---|
| CAS | 1199-77-5 |
| Molecular Weight (g/mol) | 162.19 |
| MDL Number | MFCD00002652 |
| SMILES | C\C(=C/C1=CC=CC=C1)C(O)=O |
| Synonym | alpha-methylcinnamic acid,2-methyl-3-phenylacrylic acid,2e-2-methyl-3-phenylprop-2-enoic acid,a-methylcinnamic acid,2e-2-methyl-3-phenylacrylic acid,.alpha.-methylcinnamic acid,e-2-methyl-3-phenylacrylic acid,2-propenoic acid, 2-methyl-3-phenyl,alpha-methyl cinnamic acid,e-2-methyl-3-phenylprop-2-enoic acid |
| IUPAC Name | (E)-2-methyl-3-phenylprop-2-enoic acid |
| InChI Key | XNCRUNXWPDJHGV-BQYQJAHWSA-N |
| Molecular Formula | C10H10O2 |
4-Phenylcinnamic acid, 98%
CAS: 13026-23-8 Molecular Formula: C15H12O2 Molecular Weight (g/mol): 224.26 MDL Number: MFCD00014010 InChI Key: DMJDEZUEYXVYNO-FLIBITNWSA-N Synonym: 4-phenylcinnamic acid,3-1,1'-biphenyl-4-yl acrylic acid,p-phenylcinnamic acid,e-3-1,1'-biphenyl-4-yl acrylic acid,2e-3-4-phenylphenyl prop-2-enoic acid,2e-3-biphenyl-4-ylacrylic acid,3-4-phenylphenyl prop-2-enoic acid,2e-3-1,1'-biphenyl-4-yl prop-2-enoic acid,trans-4-phenylcinnamic acid,biphenylylacrylicacid PubChem CID: 5842785 IUPAC Name: (E)-3-(4-phenylphenyl)prop-2-enoic acid SMILES: OC(=O)\C=C/C1=CC=C(C=C1)C1=CC=CC=C1
| PubChem CID | 5842785 |
|---|---|
| CAS | 13026-23-8 |
| Molecular Weight (g/mol) | 224.26 |
| MDL Number | MFCD00014010 |
| SMILES | OC(=O)\C=C/C1=CC=C(C=C1)C1=CC=CC=C1 |
| Synonym | 4-phenylcinnamic acid,3-1,1'-biphenyl-4-yl acrylic acid,p-phenylcinnamic acid,e-3-1,1'-biphenyl-4-yl acrylic acid,2e-3-4-phenylphenyl prop-2-enoic acid,2e-3-biphenyl-4-ylacrylic acid,3-4-phenylphenyl prop-2-enoic acid,2e-3-1,1'-biphenyl-4-yl prop-2-enoic acid,trans-4-phenylcinnamic acid,biphenylylacrylicacid |
| IUPAC Name | (E)-3-(4-phenylphenyl)prop-2-enoic acid |
| InChI Key | DMJDEZUEYXVYNO-FLIBITNWSA-N |
| Molecular Formula | C15H12O2 |
3-Phenylpropionic acid, 99%
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
| 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 |