173
Summary
| Name: | BENZOYL-FORMIC ACID |
| Synonyms: | OXO(PHENYL)ACETIC ACID |
| Formula: | C8 H6 O3 |
| Formal charge: | 0 |
| Formula weight: | 150.131 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | oxo(phenyl)acetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-oxo-2-phenyl-ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(C(=O)O)c1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C(=O)c1ccccc1 |
| SMILES | CACTVS | 3.341 | OC(=O)C(=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(=O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11) |
| InChIKey | InChI | 1.03 | FAQJJMHZNSSFSM-UHFFFAOYSA-N |
