Summary
| Name: | BENZOIC ACID |
| Formula: | C7 H6 O2 |
| Formal charge: | 0 |
| Formula weight: | 122.121 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | benzoic acid |
| OpenEye OEToolkits | 1.5.0 | benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c1ccccc1 |
| InChI | InChI | 1.02b | InChI=1/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/f/h8H |
| InChIKey | InChI | 1.02b | WPYMKLBDIGXBTP-FZOZFQFYCI |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1ccccc1 |
| SMILES | CACTVS | 3.341 | OC(=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(=O)O |
