HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Triazene, 3-acetyl-3-methyl-1-phenyl-
Identifiers & Physical Properties
| CAS No. | 50355-76-5 |
|---|---|
| Molecular formula | C9H11N3O |
| Average molar mass | 177.2 g/mol |
| Monoisotopic mass | 177.09021198 g/mol |
| SMILES | CC(=O)N(C)N=Nc1ccccc1 |
| InChIKey | GCCOCVPSHOAIKC-UHFFFAOYSA-N |
| PubChem CID | 97607 |
Chemical & Physical Properties
| XLogP | 2.7 |
|---|---|
| Topological polar surface area | 45 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 197 |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |