HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,3-Benzodioxole-5-carboxaldehyde, oxime
N-(1,3-Dioxaindan-5-ylmethylidene)hydroxylamine · 1,3-Benzodioxole-5-carboxaldehyde,oxime, [C(E)]-
Identifiers & Physical Properties
| CAS No. | 20747-41-5 |
|---|---|
| Molecular formula | C8H7NO3 |
| Average molar mass | 165.15 g/mol |
| Monoisotopic mass | 165.04259309 g/mol |
| SMILES | O/N=C/c1ccc2c(c1)OCO2 |
| InChIKey | VDAJDWUTRXNYMU-RUDMXATFSA-N |
| PubChem CID | 6861467 |
Chemical & Physical Properties
| XLogP | 1.3 |
|---|---|
| Topological polar surface area | 51.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 1 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 183 |
| SpringerMaterials Properties | Density |
| Melting point | 104-105 °C |
| Boiling point | 279.825±29.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.385±0.14 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa (acidity coefficient) | 10.313±0.14(predicted) |