HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-[(Ethoxycarbonyl)carbamoyl]benzoic acid
![2-[(Ethoxycarbonyl)carbamoyl]benzoic acid molecular structure](/img/chemical/12372897.png)
Identifiers & Physical Properties
| CAS No. | 49599-18-0 |
|---|---|
| Molecular formula | C11H11NO5 |
| Average molar mass | 237.21 g/mol |
| Monoisotopic mass | 237.06372245 g/mol |
| SMILES | CCOC(=O)NC(=O)c1ccccc1C(=O)O |
| InChIKey | AUPUJGDNLAOXST-UHFFFAOYSA-N |
| PubChem CID | 12372897 |
| DTXSID | DTXSID50494930 |
Chemical & Physical Properties
| XLogP | 1.3 |
|---|---|
| Topological polar surface area | 92.7 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 4 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 315 |