HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Acetyl-6-aminobenzoic acid
Identifiers & Physical Properties
| CAS No. | 103440-81-9 |
|---|---|
| Molecular formula | C9H9NO3 |
| Average molar mass | 179.17 g/mol |
| Monoisotopic mass | 179.05824315 g/mol |
| SMILES | CC(=O)c1cccc(N)c1C(=O)O |
| InChIKey | JBTKGJYTOISBEZ-UHFFFAOYSA-N |
| PubChem CID | 19089401 |
| DTXSID | DTXSID101309042 |
Chemical & Physical Properties
| XLogP | 1 |
|---|---|
| Topological polar surface area | 80.4 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 227 |