MBD
Summary
| Name: | 3-METHYLCATECHOL |
| Synonyms: | 3-METHYL-BENZENE-1,2-DIOL |
| Formula: | C7 H8 O2 |
| Formal charge: | 0 |
| Formula weight: | 124.137 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-methylbenzene-1,2-diol |
| OpenEye OEToolkits | 1.5.0 | 3-methylbenzene-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Oc1c(cccc1O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1cccc(O)c1O |
| SMILES | CACTVS | 3.341 | Cc1cccc(O)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cccc(c1O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cccc(c1O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3 |
| InChIKey | InChI | 1.03 | PGSWEKYNAOWQDF-UHFFFAOYSA-N |
