HuagongsheHuagongshe Chemistry Print Report · For research reference only
O-(3-phenylprop-2-ynyl)hydroxylamine
Hydroxylamine, O-(3-phenyl-2-propyn-1-yl)- · Hydroxylamine, O-(3-phenyl-2-propynyl)- (9CI)
Identifiers & Physical Properties
| CAS No. | 149649-90-1 |
|---|---|
| Molecular formula | C9H9NO |
| Average molar mass | 147.17 g/mol |
| SMILES | NOCC#Cc1ccccc1 |
| InChIKey | ZHFXDAQXMNYCTI-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 1.2 |
|---|---|
| Topological polar surface area | 35.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 2 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 159 |
| Boiling point | 281.0±23.0 °C(Predicted) |
| Density | 1.10±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 2.90±0.70(Predicted) |