2K1
Summary
| Name: | 5-methylfuran-2-carboxylic acid |
| Formula: | C6 H6 O3 |
| Formal charge: | 0 |
| Formula weight: | 126.11 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-methylfuran-2-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 5-methylfuran-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1oc(cc1)C |
| InChI | InChI | 1.03 | InChI=1S/C6H6O3/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3,(H,7,8) |
| InChIKey | InChI | 1.03 | OVOCLWJUABOAPL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1oc(cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1oc(cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ccc(o1)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccc(o1)C(=O)O |
