HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-(4-aminophenyl)-7-hydroxy-4H-chromen-4-one
3-(4-aminophenyl)-7-hydroxy-4H-chromen-4-one · 4H-1-Benzopyran-4-one, 3-(4-aminophenyl)-7-hydroxy-
Identifiers & Physical Properties
| CAS No. | 77316-78-0 |
|---|---|
| Molecular formula | C15H11NO3 |
| Average molar mass | 253.25 g/mol |
| Monoisotopic mass | 253.07389321 g/mol |
| SMILES | Nc1ccc(-c2coc3cc(O)ccc3c2=O)cc1 |
| InChIKey | JZBZOLLJUPZBRG-UHFFFAOYSA-N |
| PubChem CID | 28811126 |
| DTXSID | DTXSID60651678 |
Chemical & Physical Properties
| XLogP | 2.1 |
|---|---|
| Topological polar surface area | 72.6 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 1 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 385 |
| Melting point | 265-266 °C(Solv: ethanol (64-17-5)) |
| Boiling point | 516.0±50.0 °C(Predicted) |
| Density | 1.407±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 7.08±0.20(Predicted) |