HuagongsheHuagongshe Chemistry Print Report · For research reference only
ethyl [(4-oxido-2-oxo-3-phenylquinoxalin-1(2H)-yl)oxy]acetate
ethyl [(4-oxido-2-oxo-3-phenyl-1(2H)-quinoxalinyl)oxy]acetate · Acetic acid, 2-[(4-oxido-2-oxo-3-phenyl-1(2H)-quinoxalinyl)oxy]-, ethyl ester
![ethyl [(4-oxido-2-oxo-3-phenylquinoxalin-1(2H)-yl)oxy]acetate molecular structure](/img/chemical/178934021.png)
Identifiers & Physical Properties
| CAS No. | 374919-16-1 |
|---|---|
| Molecular formula | C18H16N2O5 |
| Average molar mass | 340.3 g/mol |
| SMILES | CCOC(=O)COn1c(=O)c(-c2ccccc2)[n+]([O-])c2ccccc21 |
| InChIKey | FRBYBEMPGDPUPP-UHFFFAOYSA-N |
| ChEMBL | CHEMBL1336038 |
Chemical & Physical Properties
| XLogP | 1.7 |
|---|---|
| Topological polar surface area | 84.6 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 6 |
| Heavy atoms | 25 |
| Formal charge | 0 |
| Complexity | 542 |
| Solubility | 35.2 [ug/mL] (The mean of the results at pH 7.4) |
| Boiling point | 510.9±52.0 °C(Predicted) |
| Density | 1.36±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | -1.82±0.20(Predicted) |