A1LXW
Summary
| Name: | 3-methyl-4-oxidanyl-benzoic acid |
| Formula: | C8 H8 O3 |
| Formal charge: | 0 |
| Formula weight: | 152.147 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-methyl-4-oxidanyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H8O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3,(H,10,11) |
| InChIKey | InChI | 1.06 | LTFHNKUKQYVHDX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(ccc1O)C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1cc(ccc1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1O)C(=O)O |
