Phenylpropanoids and polyketides
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7-Hydroxyflavanone, 98%, Thermo Scientific™
CAS: 6515-36-2 Molecular Formula: C15H12O3 Molecular Weight (g/mol): 240.26 MDL Number: MFCD00017487 InChI Key: SWAJPHCXKPCPQZ-UHFFFAOYSA-N Synonym: 7-hydroxyflavanone,7-hydroxy-2-phenylchroman-4-one,chembl97542,7-hydroxy-2-phenyl-4-chromanone,7-hydroxy-2-phenyl-2,3-dihydro-4h-chromen-4-one,2,3-dihydro-7-hydroxy-2-phenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-phenyl,7-hydroxy-flavanone,d05zpo PubChem CID: 1890 ChEBI: CHEBI:34483 IUPAC Name: 7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one SMILES: C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=CC=C3
| PubChem CID | 1890 |
|---|---|
| CAS | 6515-36-2 |
| Molecular Weight (g/mol) | 240.26 |
| ChEBI | CHEBI:34483 |
| MDL Number | MFCD00017487 |
| SMILES | C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=CC=C3 |
| Synonym | 7-hydroxyflavanone,7-hydroxy-2-phenylchroman-4-one,chembl97542,7-hydroxy-2-phenyl-4-chromanone,7-hydroxy-2-phenyl-2,3-dihydro-4h-chromen-4-one,2,3-dihydro-7-hydroxy-2-phenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-phenyl,7-hydroxy-flavanone,d05zpo |
| IUPAC Name | 7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one |
| InChI Key | SWAJPHCXKPCPQZ-UHFFFAOYSA-N |
| Molecular Formula | C15H12O3 |
Mineral Oil NF White, Macron Fine Chemicals™
CAS: 8012-95-1 Molecular Formula: MFCD00131611 Molecular Weight (g/mol): 0.00 MDL Number: MFCD00131611 InChI Key: FFNDMZIBVDSQFI-UHFFFAOYSA-N Synonym: delphinidin chloride,delphinidin,delphinidine,delphinidol,ephdine,delfinidol chloride,unii-em6md4aehe,ccris 2518,em6md4aehe,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride PubChem CID: 68245 ChEBI: CHEBI:38701 IUPAC Name: 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride SMILES: *
| PubChem CID | 68245 |
|---|---|
| CAS | 8012-95-1 |
| Molecular Weight (g/mol) | 0.00 |
| ChEBI | CHEBI:38701 |
| MDL Number | MFCD00131611 |
| SMILES | * |
| Synonym | delphinidin chloride,delphinidin,delphinidine,delphinidol,ephdine,delfinidol chloride,unii-em6md4aehe,ccris 2518,em6md4aehe,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride |
| IUPAC Name | 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride |
| InChI Key | FFNDMZIBVDSQFI-UHFFFAOYSA-N |
| Molecular Formula | MFCD00131611 |
(R)-3-(Boc-amino)-3-(3-bromophenyl)propionic acid, 97%, Thermo Scientific™
CAS: 501015-16-3 Molecular Formula: C14H18BrNO4 Molecular Weight (g/mol): 344.205 MDL Number: MFCD03427962 InChI Key: UTYRIGRZLZNTLR-LLVKDONJSA-N Synonym: r-n-boc-3-bromo-beta-phenylalanine,r-3-3-bromophenyl-3-tert-butoxycarbonyl amino propanoic acid,boc-r-3-amino-3-3-bromo-phenyl-propionic acid,r-3-boc-amino-3-3-bromophenyl propionic acid,boc-s-3-amino-3-3-bromophenyl-propionic acid,3r-3-3-bromophenyl-3-tert-butoxycarbonyl amino propanoic acid,boc-r-3-amino-3-3-bromophenyl-propionic acid,boc-d-?-phe 3-br-oh,boc-d-beta-phe 3-br-oh PubChem CID: 2761727 IUPAC Name: (3R)-3-(3-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC(=CC=C1)Br
| PubChem CID | 2761727 |
|---|---|
| CAS | 501015-16-3 |
| Molecular Weight (g/mol) | 344.205 |
| MDL Number | MFCD03427962 |
| SMILES | CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC(=CC=C1)Br |
| Synonym | r-n-boc-3-bromo-beta-phenylalanine,r-3-3-bromophenyl-3-tert-butoxycarbonyl amino propanoic acid,boc-r-3-amino-3-3-bromo-phenyl-propionic acid,r-3-boc-amino-3-3-bromophenyl propionic acid,boc-s-3-amino-3-3-bromophenyl-propionic acid,3r-3-3-bromophenyl-3-tert-butoxycarbonyl amino propanoic acid,boc-r-3-amino-3-3-bromophenyl-propionic acid,boc-d-?-phe 3-br-oh,boc-d-beta-phe 3-br-oh |
| IUPAC Name | (3R)-3-(3-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid |
| InChI Key | UTYRIGRZLZNTLR-LLVKDONJSA-N |
| Molecular Formula | C14H18BrNO4 |
4-Bromomethyl-6,7-dimethoxycoumarin 95%, Thermo Scientific™
CAS: 88404-25-5 Molecular Formula: C12H11BrO4 Molecular Weight (g/mol): 299.12 InChI Key: JGODLBJJCNQFII-UHFFFAOYSA-N Synonym: 4-bromomethyl-6,7-dimethoxycoumarin,4-bromomethyl-6,7-dimethoxy-2h-chromen-2-one,4-bromomethyl-6,7-dimethoxychromen-2-one,2h-1-benzopyran-2-one, 4-bromomethyl-6,7-dimethoxy,4-bromomethyl-6,7-dimethoxy coumarin,4-bdmc,brdmc-4,6,7,4-bromomethyl-6,7-dimethoxy-2-oxo-2h-benzopyran PubChem CID: 128870 IUPAC Name: 4-(bromomethyl)-6,7-dimethoxychromen-2-one SMILES: COC1=C(C=C2C(=C1)C(=CC(=O)O2)CBr)OC
| PubChem CID | 128870 |
|---|---|
| CAS | 88404-25-5 |
| Molecular Weight (g/mol) | 299.12 |
| SMILES | COC1=C(C=C2C(=C1)C(=CC(=O)O2)CBr)OC |
| Synonym | 4-bromomethyl-6,7-dimethoxycoumarin,4-bromomethyl-6,7-dimethoxy-2h-chromen-2-one,4-bromomethyl-6,7-dimethoxychromen-2-one,2h-1-benzopyran-2-one, 4-bromomethyl-6,7-dimethoxy,4-bromomethyl-6,7-dimethoxy coumarin,4-bdmc,brdmc-4,6,7,4-bromomethyl-6,7-dimethoxy-2-oxo-2h-benzopyran |
| IUPAC Name | 4-(bromomethyl)-6,7-dimethoxychromen-2-one |
| InChI Key | JGODLBJJCNQFII-UHFFFAOYSA-N |
| Molecular Formula | C12H11BrO4 |
3-(4-Nitrophenyl)propanoic acid, 98%
CAS: 16642-79-8 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 MDL Number: MFCD00126834 InChI Key: VZOPVJNBOQOLPN-UHFFFAOYSA-N Synonym: 3-4-nitrophenyl propanoic acid,3-4-nitrophenyl propionic acid,benzenepropanoic acid, 4-nitro,3-4-nitrophenyl-propionic acid,4-nitrobenzenepropanoic acid,p-nitrohydrozimtsaure,pubchem13615,p-nitrohydrocinnamic acid PubChem CID: 85526 IUPAC Name: 3-(4-nitrophenyl)propanoic acid SMILES: OC(=O)CCC1=CC=C(C=C1)[N+]([O-])=O
| PubChem CID | 85526 |
|---|---|
| CAS | 16642-79-8 |
| Molecular Weight (g/mol) | 195.17 |
| MDL Number | MFCD00126834 |
| SMILES | OC(=O)CCC1=CC=C(C=C1)[N+]([O-])=O |
| Synonym | 3-4-nitrophenyl propanoic acid,3-4-nitrophenyl propionic acid,benzenepropanoic acid, 4-nitro,3-4-nitrophenyl-propionic acid,4-nitrobenzenepropanoic acid,p-nitrohydrozimtsaure,pubchem13615,p-nitrohydrocinnamic acid |
| IUPAC Name | 3-(4-nitrophenyl)propanoic acid |
| InChI Key | VZOPVJNBOQOLPN-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO4 |
MP Biomedicals, Inc 7-Ethoxycoumarin, MP Biomedicals™
CAS: 31005-02-4 Molecular Formula: C11H10O3 Molecular Weight (g/mol): 190.198 MDL Number: MFCD00006877 InChI Key: LIFAQMGORKPVDH-UHFFFAOYSA-N Synonym: 7-ethoxycoumarin,7-ethoxy-2h-chromen-2-one,ethylumbelliferone,2h-1-benzopyran-2-one, 7-ethoxy,7-ethoxy-2h-1-benzopyran-2-one,7-ethoxycoumarine,pubchem8680,coumarin, 7-ethoxy,acmc-209hjx PubChem CID: 35703 ChEBI: CHEBI:28184 IUPAC Name: 7-ethoxychromen-2-one SMILES: CCOC1=CC2=C(C=C1)C=CC(=O)O2
| PubChem CID | 35703 |
|---|---|
| CAS | 31005-02-4 |
| Molecular Weight (g/mol) | 190.198 |
| ChEBI | CHEBI:28184 |
| MDL Number | MFCD00006877 |
| SMILES | CCOC1=CC2=C(C=C1)C=CC(=O)O2 |
| Synonym | 7-ethoxycoumarin,7-ethoxy-2h-chromen-2-one,ethylumbelliferone,2h-1-benzopyran-2-one, 7-ethoxy,7-ethoxy-2h-1-benzopyran-2-one,7-ethoxycoumarine,pubchem8680,coumarin, 7-ethoxy,acmc-209hjx |
| IUPAC Name | 7-ethoxychromen-2-one |
| InChI Key | LIFAQMGORKPVDH-UHFFFAOYSA-N |
| Molecular Formula | C11H10O3 |
m-Methoxycinnamic Acid, Predominantly trans 97%, Thermo Scientific™
CAS: 6099-04-3 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 InChI Key: LZPNXAULYJPXEH-AATRIKPKSA-N Synonym: 3-methoxycinnamic acid,3-3-methoxyphenyl acrylic acid,m-methoxycinnamic acid,2e-3-3-methoxyphenyl acrylic acid,2e-3-3-methoxyphenyl prop-2-enoic acid,trans-3-methoxycinnamic acid,e-3-3-methoxyphenyl acrylic acid,trans-3-3-methoxyphenyl acrylic acid,2-propenoic acid, 3-3-methoxyphenyl-, 2e,3-3-methoxyphenyl prop-2-enoic acid PubChem CID: 637668
| PubChem CID | 637668 |
|---|---|
| CAS | 6099-04-3 |
| Molecular Weight (g/mol) | 178.19 |
| Synonym | 3-methoxycinnamic acid,3-3-methoxyphenyl acrylic acid,m-methoxycinnamic acid,2e-3-3-methoxyphenyl acrylic acid,2e-3-3-methoxyphenyl prop-2-enoic acid,trans-3-methoxycinnamic acid,e-3-3-methoxyphenyl acrylic acid,trans-3-3-methoxyphenyl acrylic acid,2-propenoic acid, 3-3-methoxyphenyl-, 2e,3-3-methoxyphenyl prop-2-enoic acid |
| InChI Key | LZPNXAULYJPXEH-AATRIKPKSA-N |
| Molecular Formula | C10H10O3 |
3,4-Dimethoxycinnamic acid, predominantly trans, 99%, Thermo Scientific™
CAS: 2316-26-9 Molecular Formula: C11H12O4 Molecular Weight (g/mol): 208.213 MDL Number: MFCD00004387 InChI Key: HJBWJAPEBGSQPR-GQCTYLIASA-N Synonym: 3,4-dimethoxycinnamic acid,dimethylcaffeic acid,caffeic acid dimethyl ether,2e-3-3,4-dimethoxyphenyl prop-2-enoic acid,dimethyl caffeic acid,e-3-3,4-dimethoxyphenyl acrylic acid,e-3,4-dimethoxycinnamic acid,unii-bvz841pvjl,2e-3-3,4-dimethoxyphenyl acrylic acid,3-3,4-dimethoxyphenyl acrylic acid PubChem CID: 717531 ChEBI: CHEBI:86549 IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid SMILES: COC1=C(C=C(C=C1)C=CC(=O)O)OC
| PubChem CID | 717531 |
|---|---|
| CAS | 2316-26-9 |
| Molecular Weight (g/mol) | 208.213 |
| ChEBI | CHEBI:86549 |
| MDL Number | MFCD00004387 |
| SMILES | COC1=C(C=C(C=C1)C=CC(=O)O)OC |
| Synonym | 3,4-dimethoxycinnamic acid,dimethylcaffeic acid,caffeic acid dimethyl ether,2e-3-3,4-dimethoxyphenyl prop-2-enoic acid,dimethyl caffeic acid,e-3-3,4-dimethoxyphenyl acrylic acid,e-3,4-dimethoxycinnamic acid,unii-bvz841pvjl,2e-3-3,4-dimethoxyphenyl acrylic acid,3-3,4-dimethoxyphenyl acrylic acid |
| IUPAC Name | (E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid |
| InChI Key | HJBWJAPEBGSQPR-GQCTYLIASA-N |
| Molecular Formula | C11H12O4 |
MP Biomedicals, Inc Sodium Cinnamate, MP Biomedicals
CAS: 538-42-1 Molecular Formula: C9H7NaO2 Molecular Weight (g/mol): 170.14 MDL Number: MFCD00064994 InChI Key: DXIHILNWDOYYCH-UHDJGPCESA-M Synonym: sodium cinnamate,fortificar,cinnamic acid, sodium salt,unii-1dkd3z3e4y,sodium 3-phenyl-2-propenoate,2-propenoic acid, 3-phenyl-, sodium salt,1dkd3z3e4y,cinnamylic acid sodium salt,sodium e-3-phenylprop-2-enoate,potassium cinnamate PubChem CID: 5462638 IUPAC Name: sodium (2E)-3-phenylprop-2-enoate SMILES: [Na+].[O-]C(=O)\C=C\C1=CC=CC=C1
| PubChem CID | 5462638 |
|---|---|
| CAS | 538-42-1 |
| Molecular Weight (g/mol) | 170.14 |
| MDL Number | MFCD00064994 |
| SMILES | [Na+].[O-]C(=O)\C=C\C1=CC=CC=C1 |
| Synonym | sodium cinnamate,fortificar,cinnamic acid, sodium salt,unii-1dkd3z3e4y,sodium 3-phenyl-2-propenoate,2-propenoic acid, 3-phenyl-, sodium salt,1dkd3z3e4y,cinnamylic acid sodium salt,sodium e-3-phenylprop-2-enoate,potassium cinnamate |
| IUPAC Name | sodium (2E)-3-phenylprop-2-enoate |
| InChI Key | DXIHILNWDOYYCH-UHDJGPCESA-M |
| Molecular Formula | C9H7NaO2 |
Pentafluorophenyl 4-[5-(trifluoromethyl)pyrid-2-yl]benzoate, ≥95%, Thermo Scientific™
CAS: 910036-89-4 Molecular Formula: C19H7F8NO2 Molecular Weight (g/mol): 433.257 MDL Number: MFCD09817480 InChI Key: FXVFNQGTIWSDPI-UHFFFAOYSA-N Synonym: pentafluorophenyl 4-5-trifluoromethyl pyridin-2-yl benzoate,2,3,4,5,6-pentafluorophenyl 4-5-trifluoromethyl pyridin-2-yl benzoate,pentafluorophenyl 4-5-trifluoromethyl pyrid-2-yl benzoate,2,3,4,5,6-pentakis fluoranyl phenyl 4-5-trifluoromethyl pyridin-2-yl benzoate,4-5-trifluoromethyl-2-pyridinyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester PubChem CID: 24229536 IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 4-[5-(trifluoromethyl)pyridin-2-yl]benzoate SMILES: C1=CC(=CC=C1C2=NC=C(C=C2)C(F)(F)F)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F
| PubChem CID | 24229536 |
|---|---|
| CAS | 910036-89-4 |
| Molecular Weight (g/mol) | 433.257 |
| MDL Number | MFCD09817480 |
| SMILES | C1=CC(=CC=C1C2=NC=C(C=C2)C(F)(F)F)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F |
| Synonym | pentafluorophenyl 4-5-trifluoromethyl pyridin-2-yl benzoate,2,3,4,5,6-pentafluorophenyl 4-5-trifluoromethyl pyridin-2-yl benzoate,pentafluorophenyl 4-5-trifluoromethyl pyrid-2-yl benzoate,2,3,4,5,6-pentakis fluoranyl phenyl 4-5-trifluoromethyl pyridin-2-yl benzoate,4-5-trifluoromethyl-2-pyridinyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester |
| IUPAC Name | (2,3,4,5,6-pentafluorophenyl) 4-[5-(trifluoromethyl)pyridin-2-yl]benzoate |
| InChI Key | FXVFNQGTIWSDPI-UHFFFAOYSA-N |
| Molecular Formula | C19H7F8NO2 |
MP Biomedicals, Inc Evernic Acid, MP Biomedicals
CAS: 537-09-7 Molecular Formula: C17H16O7 Molecular Weight (g/mol): 332.308 InChI Key: GODLCSLPZIBRMG-UHFFFAOYSA-N Synonym: evernic acid,unii-2eq5w5403j,lecanoric acid methyl ether,2,6-cresotic acid, 4-methoxy-, 4-ester with 6-methyl-beta-resorcylate,4-4-methoxy-6-methylsalicyloyl oxy-6-methylsalicylic acid,2-hydroxy-4-2-hydroxy-4-methoxy-6-methylbenzoyloxy-6-methylbenzoic acid,benzoic acid, 2-hydroxy-4-2-hydroxy-4-methoxy-6-methylbenzoyl oxy-6-methyl,evernic acid, pruiss,evernsaure PubChem CID: 10829 IUPAC Name: 2-hydroxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-6-methylbenzoic acid SMILES: CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)O)O)O)OC
| PubChem CID | 10829 |
|---|---|
| CAS | 537-09-7 |
| Molecular Weight (g/mol) | 332.308 |
| SMILES | CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)O)O)O)OC |
| Synonym | evernic acid,unii-2eq5w5403j,lecanoric acid methyl ether,2,6-cresotic acid, 4-methoxy-, 4-ester with 6-methyl-beta-resorcylate,4-4-methoxy-6-methylsalicyloyl oxy-6-methylsalicylic acid,2-hydroxy-4-2-hydroxy-4-methoxy-6-methylbenzoyloxy-6-methylbenzoic acid,benzoic acid, 2-hydroxy-4-2-hydroxy-4-methoxy-6-methylbenzoyl oxy-6-methyl,evernic acid, pruiss,evernsaure |
| IUPAC Name | 2-hydroxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-6-methylbenzoic acid |
| InChI Key | GODLCSLPZIBRMG-UHFFFAOYSA-N |
| Molecular Formula | C17H16O7 |
1,3-Diphenylpropanetrione 98.0+%, TCI America™
CAS: 643-75-4 Molecular Formula: C15H10O3 Molecular Weight (g/mol): 238.24 MDL Number: MFCD00191426 InChI Key: RXVBJUZEFSAYPW-UHFFFAOYSA-N Synonym: Dibenzoyl Ketone PubChem CID: 223850 IUPAC Name: diphenylpropane-1,2,3-trione SMILES: O=C(C(=O)C1=CC=CC=C1)C(=O)C1=CC=CC=C1
| PubChem CID | 223850 |
|---|---|
| CAS | 643-75-4 |
| Molecular Weight (g/mol) | 238.24 |
| MDL Number | MFCD00191426 |
| SMILES | O=C(C(=O)C1=CC=CC=C1)C(=O)C1=CC=CC=C1 |
| Synonym | Dibenzoyl Ketone |
| IUPAC Name | diphenylpropane-1,2,3-trione |
| InChI Key | RXVBJUZEFSAYPW-UHFFFAOYSA-N |
| Molecular Formula | C15H10O3 |
4-Nitrocinnamaldehyde 98.0+%, TCI America™
CAS: 1734-79-8 Molecular Formula: C9H7NO3 Molecular Weight (g/mol): 177.159 MDL Number: MFCD00007379 InChI Key: ALGQVMMYDWQDEC-OWOJBTEDSA-N Synonym: 4-nitrocinnamaldehyde,3-4-nitrophenyl acrylaldehyde,p-nitrocinnamaldehyde,2-propenal, 3-4-nitrophenyl,cinnamaldehyde, p-nitro,trans-4-nitrocinnamaldehyde,e-3-4-nitrophenyl acrylaldehyde,3-4-nitrophenyl-2-propenal,unii-48r8lam7yx,2e-3-4-nitrophenyl prop-2-enal PubChem CID: 5354135 IUPAC Name: (E)-3-(4-nitrophenyl)prop-2-enal SMILES: C1=CC(=CC=C1C=CC=O)[N+](=O)[O-]
| PubChem CID | 5354135 |
|---|---|
| CAS | 1734-79-8 |
| Molecular Weight (g/mol) | 177.159 |
| MDL Number | MFCD00007379 |
| SMILES | C1=CC(=CC=C1C=CC=O)[N+](=O)[O-] |
| Synonym | 4-nitrocinnamaldehyde,3-4-nitrophenyl acrylaldehyde,p-nitrocinnamaldehyde,2-propenal, 3-4-nitrophenyl,cinnamaldehyde, p-nitro,trans-4-nitrocinnamaldehyde,e-3-4-nitrophenyl acrylaldehyde,3-4-nitrophenyl-2-propenal,unii-48r8lam7yx,2e-3-4-nitrophenyl prop-2-enal |
| IUPAC Name | (E)-3-(4-nitrophenyl)prop-2-enal |
| InChI Key | ALGQVMMYDWQDEC-OWOJBTEDSA-N |
| Molecular Formula | C9H7NO3 |
3-(2-Methoxyphenyl)propionic Acid 98.0+%, TCI America™
CAS: 6342-77-4 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00002772 InChI Key: XSZSNLOPIWWFHS-UHFFFAOYSA-N Synonym: 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 PubChem CID: 80652 IUPAC Name: 3-(2-methoxyphenyl)propanoic acid SMILES: COC1=CC=CC=C1CCC(=O)O
| PubChem CID | 80652 |
|---|---|
| CAS | 6342-77-4 |
| Molecular Weight (g/mol) | 180.203 |
| MDL Number | MFCD00002772 |
| SMILES | COC1=CC=CC=C1CCC(=O)O |
| Synonym | 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 |
| IUPAC Name | 3-(2-methoxyphenyl)propanoic acid |
| InChI Key | XSZSNLOPIWWFHS-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |