HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(2,4-Dimethoxyanilino)-4-oxobutanoic acid
4-(2,4-dimethoxyanilino)-4-oxobutanoic acid · 4-[(2,4-dimethoxyphenyl)amino]-4-oxobutanoic acid · Butanoic acid, 4-[(2,4-dimethoxyphenyl)amino]-4-oxo-
Identifiers & Physical Properties
| CAS No. | 394225-32-2 |
|---|---|
| Molecular formula | C12H15NO5 |
| Average molar mass | 253.25 g/mol |
| Monoisotopic mass | 253.09502258 g/mol |
| SMILES | COc1ccc(NC(=O)CCC(=O)O)c(OC)c1 |
| InChIKey | ATYXNDMCQKEELI-UHFFFAOYSA-N |
| PubChem CID | 2063686 |
Chemical & Physical Properties
| XLogP | 0.7 |
|---|---|
| Topological polar surface area | 84.9 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 6 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 294 |
| Boiling point | 487.2±40.0 °C(Predicted) |
| Density | 1.278±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 4.63±0.10(Predicted) |