AIN
Summary
| Name: | 2-(ACETYLOXY)BENZOIC ACID |
| Synonyms: | ACETYLSALICYLIC ACID ASPIRIN |
| Formula: | C9 H8 O4 |
| Formal charge: | 0 |
| Formula weight: | 180.157 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-(acetyloxy)benzoic acid |
| OpenEye OEToolkits | 1.5.0 | 2-acetyloxybenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(Oc1ccccc1C(=O)O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)Oc1ccccc1C(O)=O |
| SMILES | CACTVS | 3.341 | CC(=O)Oc1ccccc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)Oc1ccccc1C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)Oc1ccccc1C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12) |
| InChIKey | InChI | 1.03 | BSYNRYMUTXBXSQ-UHFFFAOYSA-N |
