HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Nitro-5-(4-acetylamino-1-piperidyl)benzaldehyde
Identifiers & Physical Properties
| Molecular formula | C14H17N3O4 |
|---|---|
| Average molar mass | 291.3 g/mol |
| Monoisotopic mass | 291.12190603 g/mol |
| SMILES | CC(=O)NC1CCN(c2ccc([N+](=O)[O-])c(C=O)c2)CC1 |
| InChIKey | BUKYARHZGPWGRN-UHFFFAOYSA-N |
| PubChem CID | 19086846 |
Chemical & Physical Properties
| XLogP | 1.2 |
|---|---|
| Topological polar surface area | 95.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 3 |
| Heavy atoms | 21 |
| Formal charge | 0 |
| Complexity | 402 |