HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl 3,4-diacetamidobenzoate
METHYL 3,4-DIACETAMIDOBENZOATE · METHYL 3,4-DI(ACETYLAMINO)BENZOATE · Benzoic acid, 3,4-bis(acetylamino)-, methyl ester
Identifiers & Physical Properties
| CAS No. | 175204-18-9 |
|---|---|
| Molecular formula | C12H14N2O4 |
| Average molar mass | 250.25 g/mol |
| Monoisotopic mass | 250.09535693 g/mol |
| SMILES | COC(=O)c1ccc(NC(C)=O)c(NC(C)=O)c1 |
| InChIKey | HGBVBCIDBDCXPQ-UHFFFAOYSA-N |
| PubChem CID | 2781237 |
| DTXSID | DTXSID00381760 |
Chemical & Physical Properties
| XLogP | 0.6 |
|---|---|
| Topological polar surface area | 84.5 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 4 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 343 |
| Boiling point | 524.7±45.0 °C(Predicted) |
| Density | 1.293±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 13.98±0.70(Predicted) |