HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethyl (2Z,4E)-2-azido-5-(4-methylphenyl)penta-2,4-dienoate
Identifiers & Physical Properties
| Molecular formula | C14H15N3O2 |
|---|---|
| Average molar mass | 257.29 g/mol |
| SMILES | CCOC(=O)/C(=C/C=C/c1ccc(C)cc1)N=[N+]=[N-] |
| InChIKey | NGTBAEGFNOKDPE-XFYQWYMDSA-N |
| PubChem CID | 12378027 |
Chemical & Physical Properties
| XLogP | 4.7 |
|---|---|
| Topological polar surface area | 40.7 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 6 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 401 |