TX0
Summary
| Name: | thiophene-3-carboxylic acid |
| Formula: | C5 H4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 128.149 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | thiophene-3-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | thiophene-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1ccsc1 |
| InChI | InChI | 1.06 | InChI=1S/C5H4O2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7) |
| InChIKey | InChI | 1.06 | YNVOMSDITJMNET-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cscc1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cscc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cscc1C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cscc1C(=O)O |
