60P
Summary
| Name: | 3-methylthiophene-2-carboxylic acid |
| Formula: | C6 H6 O2 S |
| Formal charge: | 0 |
| Formula weight: | 142.176 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 3-methylthiophene-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H6O2S/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3,(H,7,8) |
| InChIKey | InChI | 1.03 | IFLKEBSJTZGCJG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccsc1C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1ccsc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1ccsc1C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1ccsc1C(=O)O |
