TI7
Summary
| Name: | 3-(2-methylphenyl)benzoic acid |
| Formula: | C14 H12 O2 |
| Formal charge: | 0 |
| Formula weight: | 212.244 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-(2-methylphenyl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H12O2/c1-10-5-2-3-8-13(10)11-6-4-7-12(9-11)14(15)16/h2-9H,1H3,(H,15,16) |
| InChIKey | InChI | 1.03 | IAZJDWZUCUHVPQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccccc1c2cccc(c2)C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1ccccc1c2cccc(c2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccccc1c2cccc(c2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccccc1c2cccc(c2)C(=O)O |
