M3S
Summary
| Name: | 2-(acetyloxy)-3-methylbenzoic acid |
| Formula: | C10 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 194.184 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-(acetyloxy)-3-methylbenzoic acid |
| OpenEye OEToolkits | 1.5.0 | 2-acetyloxy-3-methyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(Oc1c(cccc1C)C(=O)O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)Oc1c(C)cccc1C(O)=O |
| SMILES | CACTVS | 3.341 | CC(=O)Oc1c(C)cccc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cccc(c1OC(=O)C)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cccc(c1OC(=O)C)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H10O4/c1-6-4-3-5-8(10(12)13)9(6)14-7(2)11/h3-5H,1-2H3,(H,12,13) |
| InChIKey | InChI | 1.03 | XRBMKGUDDJPAMH-UHFFFAOYSA-N |
