VLG
Summary
| Name: | 3'-methoxy[1,1'-biphenyl]-4-carboxylic acid |
| Synonyms: | 4-(3'-methoxyphenyl)benzoic acid |
| Formula: | C14 H12 O3 |
| Formal charge: | 0 |
| Formula weight: | 228.243 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3'-methoxy[1,1'-biphenyl]-4-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 4-(3-methoxyphenyl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1cccc(c1)c2ccc(cc2)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C14H12O3/c1-17-13-4-2-3-12(9-13)10-5-7-11(8-6-10)14(15)16/h2-9H,1H3,(H,15,16) |
| InChIKey | InChI | 1.03 | OAMJQKDGQYAQKD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(c1)c2ccc(cc2)C(O)=O |
| SMILES | CACTVS | 3.385 | COc1cccc(c1)c2ccc(cc2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)c2ccc(cc2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)c2ccc(cc2)C(=O)O |
