HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-[3-(2-Thenoyl)-o-tolyl]acetic acid
![2-[3-(2-Thenoyl)-o-tolyl]acetic acid molecular structure](/img/chemical/70637726.png)
Identifiers & Physical Properties
| Molecular formula | C14H12O3S |
|---|---|
| Average molar mass | 260.31 g/mol |
| SMILES | Cc1cccc(C(=O)c2cccs2)c1CC(=O)O |
| InChIKey | MZEUQZHAEUMQGB-UHFFFAOYSA-N |
| PubChem CID | 70637726 |
Chemical & Physical Properties
| XLogP | 3.1 |
|---|---|
| Topological polar surface area | 82.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 4 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 329 |