3SK
Summary
| Name: | 2-methylbenzoic acid |
| Formula: | C8 H8 O2 |
| Formal charge: | 0 |
| Formula weight: | 136.148 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-methylbenzoic acid |
| OpenEye OEToolkits | 1.7.6 | 2-methylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1ccccc1C |
| InChI | InChI | 1.03 | InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10) |
| InChIKey | InChI | 1.03 | ZWLPBLYKEWSWPD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccccc1C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1ccccc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ccccc1C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccccc1C(=O)O |
