A1EFG
Summary
| Name: | 2-methylfuran-3-carboxylic acid |
| Synonyms: | 6947-94-0 |
| Formula: | C6 H6 O3 |
| Formal charge: | 0 |
| Formula weight: | 126.11 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-methylfuran-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H6O3/c1-4-5(6(7)8)2-3-9-4/h2-3H,1H3,(H,7,8) |
| InChIKey | InChI | 1.06 | CFGQZVOVFIZRMN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1occc1C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1occc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cco1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cco1)C(=O)O |
