A1BVZ
Summary
| Name: | 2-acetylbenzoic acid |
| Formula: | C9 H8 O3 |
| Formal charge: | 0 |
| Formula weight: | 164.158 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-acetylbenzoic acid |
| OpenEye OEToolkits | 3.1.0.0 | 2-ethanoylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OC(=O)c1ccccc1C(C)=O |
| InChI | InChI | 1.06 | InChI=1S/C9H8O3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5H,1H3,(H,11,12) |
| InChIKey | InChI | 1.06 | QDAWXRKTSATEOP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1ccccc1C(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)c1ccccc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(=O)c1ccccc1C(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(=O)c1ccccc1C(=O)O |
