Benzenoids
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4-Benzyloxy-3-methoxyphenylacetic Acid 98.0+%, TCI America™
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CAS: 29973-91-9 Molecular Formula: C16H16O4 Molecular Weight (g/mol): 272.3 MDL Number: MFCD00185562 InChI Key: AYCIHUSEBJLTBF-UHFFFAOYSA-N PubChem CID: 297964 IUPAC Name: 2-(3-methoxy-4-phenylmethoxyphenyl)acetic acid SMILES: COC1=C(C=CC(=C1)CC(=O)O)OCC2=CC=CC=C2
| PubChem CID | 297964 |
|---|---|
| CAS | 29973-91-9 |
| Molecular Weight (g/mol) | 272.3 |
| MDL Number | MFCD00185562 |
| SMILES | COC1=C(C=CC(=C1)CC(=O)O)OCC2=CC=CC=C2 |
| IUPAC Name | 2-(3-methoxy-4-phenylmethoxyphenyl)acetic acid |
| InChI Key | AYCIHUSEBJLTBF-UHFFFAOYSA-N |
| Molecular Formula | C16H16O4 |
Methyl 3-Amino-2-fluorobenzoate 96.0+%, TCI America™
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CAS: 1195768-18-3 Molecular Formula: C8H8FNO2 Molecular Weight (g/mol): 169.155 MDL Number: MFCD12923265 InChI Key: UOYDNSRSUSNCKS-UHFFFAOYSA-N Synonym: 3-Amino-2-fluorobenzoic Acid Methyl Ester PubChem CID: 46311080 IUPAC Name: methyl 3-amino-2-fluorobenzoate SMILES: COC(=O)C1=C(C(=CC=C1)N)F
| PubChem CID | 46311080 |
|---|---|
| CAS | 1195768-18-3 |
| Molecular Weight (g/mol) | 169.155 |
| MDL Number | MFCD12923265 |
| SMILES | COC(=O)C1=C(C(=CC=C1)N)F |
| Synonym | 3-Amino-2-fluorobenzoic Acid Methyl Ester |
| IUPAC Name | methyl 3-amino-2-fluorobenzoate |
| InChI Key | UOYDNSRSUSNCKS-UHFFFAOYSA-N |
| Molecular Formula | C8H8FNO2 |
2,2',6,6'-Tetra-tert-butyl-4,4'-dihydroxybiphenyl 98.0+%, TCI America™
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CAS: 128-38-1 Molecular Formula: C28H42O2 Molecular Weight (g/mol): 410.64 MDL Number: MFCD00069443 InChI Key: GSOYMOAPJZYXTB-UHFFFAOYSA-N Synonym: 2,2′C,6,6′C-Tetra-tert-butyl-[1,1′C-biphenyl]-4,4′C-diol PubChem CID: 67185 IUPAC Name: 3,3',5,5'-tetra-tert-butyl-[1,1'-biphenyl]-4,4'-diol SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C
| PubChem CID | 67185 |
|---|---|
| CAS | 128-38-1 |
| Molecular Weight (g/mol) | 410.64 |
| MDL Number | MFCD00069443 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C |
| Synonym | 2,2′C,6,6′C-Tetra-tert-butyl-[1,1′C-biphenyl]-4,4′C-diol |
| IUPAC Name | 3,3',5,5'-tetra-tert-butyl-[1,1'-biphenyl]-4,4'-diol |
| InChI Key | GSOYMOAPJZYXTB-UHFFFAOYSA-N |
| Molecular Formula | C28H42O2 |
3-Methoxy-4-nitrobenzoic Acid 98.0+%, TCI America™
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CAS: 5081-36-7 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00007353 InChI Key: PWURRRRGLCVBMX-UHFFFAOYSA-N Synonym: 3-methoxy-4-nitrobenzoic acid,4-nitro-3-methoxybenzoic acid,4-nitro-m-anisic acid,benzoic acid, 3-methoxy-4-nitro,3-methoxy-4-nitrobenzoicacid,pubchem3918,acmc-1bn9s,ksc270m6t,3-methoxy4-nitro-benzoic acid,3-methoxy-4-nitro-benzoic acid PubChem CID: 78764 SMILES: COC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]
| PubChem CID | 78764 |
|---|---|
| CAS | 5081-36-7 |
| Molecular Weight (g/mol) | 197.146 |
| MDL Number | MFCD00007353 |
| SMILES | COC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-] |
| Synonym | 3-methoxy-4-nitrobenzoic acid,4-nitro-3-methoxybenzoic acid,4-nitro-m-anisic acid,benzoic acid, 3-methoxy-4-nitro,3-methoxy-4-nitrobenzoicacid,pubchem3918,acmc-1bn9s,ksc270m6t,3-methoxy4-nitro-benzoic acid,3-methoxy-4-nitro-benzoic acid |
| InChI Key | PWURRRRGLCVBMX-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO5 |
1-Phenyl-1-trimethylsilyloxyethylene 95.0+%, TCI America™
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CAS: 13735-81-4 Molecular Formula: C11H16OSi Molecular Weight (g/mol): 192.333 MDL Number: MFCD00008582 InChI Key: AFFPCIMDERUIST-UHFFFAOYSA-N Synonym: 1-phenyl-1-trimethylsiloxyethylene,trimethyl 1-phenylvinyl oxy silane,1-phenyl-1-trimethylsilyloxyethylene,1-phenyl-1-trimethylsiloxy ethylene,1-phenyl-1-trimethylsilyloxy ethylene,benzene, 1-trimethylsilyl oxy ethenyl,silane, trimethyl 1-phenylethenyl oxy,acmc-209ccf PubChem CID: 117406 IUPAC Name: trimethyl(1-phenylethenoxy)silane SMILES: C[Si](C)(C)OC(=C)C1=CC=CC=C1
| PubChem CID | 117406 |
|---|---|
| CAS | 13735-81-4 |
| Molecular Weight (g/mol) | 192.333 |
| MDL Number | MFCD00008582 |
| SMILES | C[Si](C)(C)OC(=C)C1=CC=CC=C1 |
| Synonym | 1-phenyl-1-trimethylsiloxyethylene,trimethyl 1-phenylvinyl oxy silane,1-phenyl-1-trimethylsilyloxyethylene,1-phenyl-1-trimethylsiloxy ethylene,1-phenyl-1-trimethylsilyloxy ethylene,benzene, 1-trimethylsilyl oxy ethenyl,silane, trimethyl 1-phenylethenyl oxy,acmc-209ccf |
| IUPAC Name | trimethyl(1-phenylethenoxy)silane |
| InChI Key | AFFPCIMDERUIST-UHFFFAOYSA-N |
| Molecular Formula | C11H16OSi |
2-Amino-3,4-dimethylbenzoic Acid 98.0+%, TCI America™
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CAS: 50419-58-4 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00130041 InChI Key: MUOBMUYSNYMSDM-UHFFFAOYSA-N Synonym: 2-amino-3,4-dimethyl-benzoic acid,3,4-dimethylanthranilic acid,benzoic acid, 2-amino-3,4-dimethyl,pubchem4683,acmc-1aomr,ksc272a3h,2-amino-3,4-dimethyl benzoic acid PubChem CID: 282450 IUPAC Name: 2-amino-3,4-dimethylbenzoic acid SMILES: CC1=CC=C(C(O)=O)C(N)=C1C
| PubChem CID | 282450 |
|---|---|
| CAS | 50419-58-4 |
| Molecular Weight (g/mol) | 165.19 |
| MDL Number | MFCD00130041 |
| SMILES | CC1=CC=C(C(O)=O)C(N)=C1C |
| Synonym | 2-amino-3,4-dimethyl-benzoic acid,3,4-dimethylanthranilic acid,benzoic acid, 2-amino-3,4-dimethyl,pubchem4683,acmc-1aomr,ksc272a3h,2-amino-3,4-dimethyl benzoic acid |
| IUPAC Name | 2-amino-3,4-dimethylbenzoic acid |
| InChI Key | MUOBMUYSNYMSDM-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
Benzyltriphenylphosphonium Chloride 98.0+%, TCI America™
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CAS: 1100-88-5 Molecular Formula: C25H22ClP Molecular Weight (g/mol): 388.87 MDL Number: MFCD00011913 InChI Key: USFRYJRPHFMVBZ-UHFFFAOYSA-M Synonym: benzyltriphenylphosphonium chloride,triphenylbenzylphosphonium chloride,phosphonium, triphenyl phenylmethyl-, chloride,benzyltriphenylphosphanium chloride,benzyl triphenylphosphonium chloride,benzyl-triphenyl-phosphonium chloride,phosphonium, triphenyl phenylmethyl-, chloride 1:1,triphenylbenzylphosphine, chloride,benzyl triphenyl phosphoniumchlorid PubChem CID: 70671 IUPAC Name: benzyltriphenylphosphanium chloride SMILES: [Cl-].C(C1=CC=CC=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 70671 |
|---|---|
| CAS | 1100-88-5 |
| Molecular Weight (g/mol) | 388.87 |
| MDL Number | MFCD00011913 |
| SMILES | [Cl-].C(C1=CC=CC=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | benzyltriphenylphosphonium chloride,triphenylbenzylphosphonium chloride,phosphonium, triphenyl phenylmethyl-, chloride,benzyltriphenylphosphanium chloride,benzyl triphenylphosphonium chloride,benzyl-triphenyl-phosphonium chloride,phosphonium, triphenyl phenylmethyl-, chloride 1:1,triphenylbenzylphosphine, chloride,benzyl triphenyl phosphoniumchlorid |
| IUPAC Name | benzyltriphenylphosphanium chloride |
| InChI Key | USFRYJRPHFMVBZ-UHFFFAOYSA-M |
| Molecular Formula | C25H22ClP |
Ethyl 5-Bromo-2-chlorobenzoate 98.0+%, TCI America™
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CAS: 76008-73-6 Molecular Formula: C9H8BrClO2 Molecular Weight (g/mol): 263.515 MDL Number: MFCD00013635 InChI Key: AMGWDYLEMSMUIO-UHFFFAOYSA-N Synonym: 5-bromo-2-chlorobenzoic acid ethyl ester,ethyl5-bromo-2-chlorobenzoate,benzoic acid, 5-bromo-2-chloro-, ethyl ester,pubchem3702,acmc-1bb9d,ethyl-5-bromo-2-chlorobenzoate,ethyl 5-bromo-2-chloro-benzoate,a-ethyl 5-bromo-2-chlorobenzoate,attercop-chm at115127,ethyl 5-bromo2-chlorobenzaldehyde PubChem CID: 144749 IUPAC Name: ethyl 5-bromo-2-chlorobenzoate SMILES: CCOC(=O)C1=C(C=CC(=C1)Br)Cl
| PubChem CID | 144749 |
|---|---|
| CAS | 76008-73-6 |
| Molecular Weight (g/mol) | 263.515 |
| MDL Number | MFCD00013635 |
| SMILES | CCOC(=O)C1=C(C=CC(=C1)Br)Cl |
| Synonym | 5-bromo-2-chlorobenzoic acid ethyl ester,ethyl5-bromo-2-chlorobenzoate,benzoic acid, 5-bromo-2-chloro-, ethyl ester,pubchem3702,acmc-1bb9d,ethyl-5-bromo-2-chlorobenzoate,ethyl 5-bromo-2-chloro-benzoate,a-ethyl 5-bromo-2-chlorobenzoate,attercop-chm at115127,ethyl 5-bromo2-chlorobenzaldehyde |
| IUPAC Name | ethyl 5-bromo-2-chlorobenzoate |
| InChI Key | AMGWDYLEMSMUIO-UHFFFAOYSA-N |
| Molecular Formula | C9H8BrClO2 |
Perylene 98.0+%, TCI America™
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CAS: 198-55-0 Molecular Formula: C20H12 Molecular Weight (g/mol): 252.316 MDL Number: MFCD00004142 InChI Key: CSHWQDPOILHKBI-UHFFFAOYSA-N Synonym: peri-dinaphthalene,perilene,dibenz de,kl anthracene,alpha-perylene,perylen,unii-5qd5427un7,ccris 1231,perylen-1-yl,perylen-2-yl PubChem CID: 9142 ChEBI: CHEBI:29861 IUPAC Name: perylene SMILES: C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=CC=C5)C3=CC=C2
| PubChem CID | 9142 |
|---|---|
| CAS | 198-55-0 |
| Molecular Weight (g/mol) | 252.316 |
| ChEBI | CHEBI:29861 |
| MDL Number | MFCD00004142 |
| SMILES | C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=CC=C5)C3=CC=C2 |
| Synonym | peri-dinaphthalene,perilene,dibenz de,kl anthracene,alpha-perylene,perylen,unii-5qd5427un7,ccris 1231,perylen-1-yl,perylen-2-yl |
| IUPAC Name | perylene |
| InChI Key | CSHWQDPOILHKBI-UHFFFAOYSA-N |
| Molecular Formula | C20H12 |
Diphenyliodonium Nitrate, TCI America™
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CAS: 722-56-5 Molecular Formula: C12H10INO3 Molecular Weight (g/mol): 343.12 MDL Number: MFCD00031704 InChI Key: CQZCVYWWRJDZBO-UHFFFAOYSA-N Synonym: diphenyliodonium nitrate,iodonium, diphenyl-, nitrate,diphenyliodanium nitrate,acmc-1belb PubChem CID: 12876 IUPAC Name: diphenyliodanium;nitrate SMILES: C1=CC=C(C=C1)[I+]C2=CC=CC=C2.[N+](=O)([O-])[O-]
| PubChem CID | 12876 |
|---|---|
| CAS | 722-56-5 |
| Molecular Weight (g/mol) | 343.12 |
| MDL Number | MFCD00031704 |
| SMILES | C1=CC=C(C=C1)[I+]C2=CC=CC=C2.[N+](=O)([O-])[O-] |
| Synonym | diphenyliodonium nitrate,iodonium, diphenyl-, nitrate,diphenyliodanium nitrate,acmc-1belb |
| IUPAC Name | diphenyliodanium;nitrate |
| InChI Key | CQZCVYWWRJDZBO-UHFFFAOYSA-N |
| Molecular Formula | C12H10INO3 |
4-Bromo-4'-heptylbiphenyl 97.0+%, TCI America™
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CAS: 58573-93-6 Molecular Formula: C19H23Br Molecular Weight (g/mol): 331.297 MDL Number: MFCD00060107 InChI Key: RJQRJLCQHIMUQO-UHFFFAOYSA-N PubChem CID: 618710 IUPAC Name: 1-bromo-4-(4-heptylphenyl)benzene SMILES: CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)Br
| PubChem CID | 618710 |
|---|---|
| CAS | 58573-93-6 |
| Molecular Weight (g/mol) | 331.297 |
| MDL Number | MFCD00060107 |
| SMILES | CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)Br |
| IUPAC Name | 1-bromo-4-(4-heptylphenyl)benzene |
| InChI Key | RJQRJLCQHIMUQO-UHFFFAOYSA-N |
| Molecular Formula | C19H23Br |
(S)-(-)-5,5',6,6',7,7',8,8'-Octahydro-1,1'-bi-2-naphthol 99.0+%, TCI America™
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CAS: 65355-00-2 Molecular Formula: C20H22O2 Molecular Weight (g/mol): 294.39 MDL Number: MFCD02093485 InChI Key: UTXIFKBYNJRJPH-UHFFFAOYSA-N Synonym: s---5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2-naphthol,r-+-5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2-naphthol,r-5,5',6,6',7,7',8,8'-octahydro 1,1'-binaphthalene-2,2'-diol,s-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthalene-2,2'-diol,5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthalene-2,2'-diol,5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2-naphthol,5,5',6,6',7,7',8,8'-octahydro-bi-2-naphthol,r-5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2-naphthol,s---2,2'-dihydroxy-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl,1-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl-5,6,7,8-tetrahydronaphthalen-2-ol PubChem CID: 3694111 IUPAC Name: 5H,5'H,6H,6'H,7H,7'H,8H,8'H-[1,1'-binaphthalene]-2,2'-diol SMILES: OC1=C(C2=C(CCCC2)C=C1)C1=C(O)C=CC2=C1CCCC2
| PubChem CID | 3694111 |
|---|---|
| CAS | 65355-00-2 |
| Molecular Weight (g/mol) | 294.39 |
| MDL Number | MFCD02093485 |
| SMILES | OC1=C(C2=C(CCCC2)C=C1)C1=C(O)C=CC2=C1CCCC2 |
| Synonym | s---5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2-naphthol,r-+-5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2-naphthol,r-5,5',6,6',7,7',8,8'-octahydro 1,1'-binaphthalene-2,2'-diol,s-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthalene-2,2'-diol,5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthalene-2,2'-diol,5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2-naphthol,5,5',6,6',7,7',8,8'-octahydro-bi-2-naphthol,r-5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2-naphthol,s---2,2'-dihydroxy-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl,1-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl-5,6,7,8-tetrahydronaphthalen-2-ol |
| IUPAC Name | 5H,5'H,6H,6'H,7H,7'H,8H,8'H-[1,1'-binaphthalene]-2,2'-diol |
| InChI Key | UTXIFKBYNJRJPH-UHFFFAOYSA-N |
| Molecular Formula | C20H22O2 |
2,5-Dichlorobenzoic Acid 98.0+%, TCI America™
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CAS: 50-79-3 Molecular Formula: C7H4Cl2O2 Molecular Weight (g/mol): 191.01 MDL Number: MFCD00002416 InChI Key: QVTQYSFCFOGITD-UHFFFAOYSA-N Synonym: benzoic acid, 2,5-dichloro,unii-kp7cmr0gsd,2,5-dichlorobenzoicacid,kp7cmr0gsd,2,5-dichloro-benzoic acid,ccris 8609,pubchem3685,2,5dichlorobenzoic acid,wln: qvr bg eg,dsstox_cid_4978 PubChem CID: 5784 IUPAC Name: 2,5-dichlorobenzoic acid SMILES: OC(=O)C1=CC(Cl)=CC=C1Cl
| PubChem CID | 5784 |
|---|---|
| CAS | 50-79-3 |
| Molecular Weight (g/mol) | 191.01 |
| MDL Number | MFCD00002416 |
| SMILES | OC(=O)C1=CC(Cl)=CC=C1Cl |
| Synonym | benzoic acid, 2,5-dichloro,unii-kp7cmr0gsd,2,5-dichlorobenzoicacid,kp7cmr0gsd,2,5-dichloro-benzoic acid,ccris 8609,pubchem3685,2,5dichlorobenzoic acid,wln: qvr bg eg,dsstox_cid_4978 |
| IUPAC Name | 2,5-dichlorobenzoic acid |
| InChI Key | QVTQYSFCFOGITD-UHFFFAOYSA-N |
| Molecular Formula | C7H4Cl2O2 |
9,10-Dihydrophenanthrene 96.0+%, TCI America™
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CAS: 776-35-2 Molecular Formula: C14H12 Molecular Weight (g/mol): 180.25 MDL Number: MFCD00001164 InChI Key: XXPBFNVKTVJZKF-UHFFFAOYSA-N Synonym: phenanthrene, 9,10-dihydro,unii-brm9tu2f34,9,10-dihydro-phenanthrene,dihydrophenanthrene,brm9tu2f34,acmc-1ba4q,phenanthrene,9,10-dihydro,9,10-dihydrophenanthrene,phenanthrene, 9,10-dihydro-8ci 9ci PubChem CID: 13058 IUPAC Name: 9,10-dihydrophenanthrene SMILES: C1CC2=CC=CC=C2C3=CC=CC=C31
| PubChem CID | 13058 |
|---|---|
| CAS | 776-35-2 |
| Molecular Weight (g/mol) | 180.25 |
| MDL Number | MFCD00001164 |
| SMILES | C1CC2=CC=CC=C2C3=CC=CC=C31 |
| Synonym | phenanthrene, 9,10-dihydro,unii-brm9tu2f34,9,10-dihydro-phenanthrene,dihydrophenanthrene,brm9tu2f34,acmc-1ba4q,phenanthrene,9,10-dihydro,9,10-dihydrophenanthrene,phenanthrene, 9,10-dihydro-8ci 9ci |
| IUPAC Name | 9,10-dihydrophenanthrene |
| InChI Key | XXPBFNVKTVJZKF-UHFFFAOYSA-N |
| Molecular Formula | C14H12 |
Methyl 2,5-Dihydroxycinnamate 96.0+%, TCI America™
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CAS: 63177-57-1 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00132932 InChI Key: BQCNSTFWSKOWMA-GORDUTHDSA-N Synonym: methyl 2,5-dihydroxycinnamate,erbstatin analog,methyl 3-2,5-dihydroxyphenyl acrylate,2,5-dihydroxycinnamic acid methyl ester,2,4-dihydroxymethylcinnamate,2,5-dihydroxymethylcinnamate,chembl17329,methyl 3-2,5-dihydroxyphenyl-2-propenoate,methyl 2e-3-2,5-dihydroxyphenyl prop-2-enoate,2-propenoic acid, 3-2,5-dihydroxyphenyl-, methyl ester PubChem CID: 5353609 ChEBI: CHEBI:84089 IUPAC Name: methyl (2E)-3-(2,5-dihydroxyphenyl)prop-2-enoate SMILES: COC(=O)\C=C\C1=CC(O)=CC=C1O
| PubChem CID | 5353609 |
|---|---|
| CAS | 63177-57-1 |
| Molecular Weight (g/mol) | 194.19 |
| ChEBI | CHEBI:84089 |
| MDL Number | MFCD00132932 |
| SMILES | COC(=O)\C=C\C1=CC(O)=CC=C1O |
| Synonym | methyl 2,5-dihydroxycinnamate,erbstatin analog,methyl 3-2,5-dihydroxyphenyl acrylate,2,5-dihydroxycinnamic acid methyl ester,2,4-dihydroxymethylcinnamate,2,5-dihydroxymethylcinnamate,chembl17329,methyl 3-2,5-dihydroxyphenyl-2-propenoate,methyl 2e-3-2,5-dihydroxyphenyl prop-2-enoate,2-propenoic acid, 3-2,5-dihydroxyphenyl-, methyl ester |
| IUPAC Name | methyl (2E)-3-(2,5-dihydroxyphenyl)prop-2-enoate |
| InChI Key | BQCNSTFWSKOWMA-GORDUTHDSA-N |
| Molecular Formula | C10H10O4 |