HuagongsheHuagongshe Chemistry Print Report · For research reference only
6-Methoxyquinoline-8-carbonitrile
6-methoxy-8-cyano quinoline · 6-methoxyquinoline-8-carbonitrile · 8-Quinolinecarbonitrile, 6-methoxy-
Identifiers & Physical Properties
| CAS No. | 408536-38-9 |
|---|---|
| Molecular formula | C11H8N2O |
| Average molar mass | 184.19 g/mol |
| SMILES | COc1cc(C#N)c2ncccc2c1 |
| InChIKey | SSXRFRLVTQROEI-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 1.8 |
|---|---|
| Topological polar surface area | 45.9 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 245 |
| Melting point | 149-151 °C |
| Boiling point | 158-161 °C(Press: 0.2 Torr) |
| Density | 1.23±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 1.81±0.20(Predicted) |