A1BUB
Summary
| Name: | 2-hydroxy-4-methylbenzoic acid |
| Synonyms: | 4-methyl salicylic acid |
| Formula: | C8 H8 O3 |
| Formal charge: | 0 |
| Formula weight: | 152.147 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-hydroxy-4-methylbenzoic acid |
| OpenEye OEToolkits | 3.1.0.0 | 4-methyl-2-oxidanyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OC(=O)c1ccc(C)cc1O |
| InChI | InChI | 1.06 | InChI=1S/C8H8O3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11) |
| InChIKey | InChI | 1.06 | NJESAXZANHETJV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(C(O)=O)c(O)c1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(C(O)=O)c(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc(c(c1)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc(c(c1)O)C(=O)O |
