HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Carbamoyl-2-methylbenzoic acid
Identifiers & Physical Properties
| Molecular formula | C9H9NO3 |
|---|---|
| Average molar mass | 179.17 g/mol |
| Monoisotopic mass | 179.05824315 g/mol |
| SMILES | Cc1cc(C(N)=O)ccc1C(=O)O |
| InChIKey | LGEPNRWKNPFLJQ-UHFFFAOYSA-N |
| PubChem CID | 57748639 |
Chemical & Physical Properties
| XLogP | 0.7 |
|---|---|
| Topological polar surface area | 80.4 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 227 |