HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-(4-Methoxyphenyl)-2-(4-nitrophenyl)butan-1-one
Identifiers & Physical Properties
| CAS No. | 64780-22-9 |
|---|---|
| Molecular formula | C17H17NO4 |
| Average molar mass | 299.32 g/mol |
| Monoisotopic mass | 299.11575802 g/mol |
| SMILES | CCC(C(=O)c1ccc(OC)cc1)c1ccc([N+](=O)[O-])cc1 |
| InChIKey | ZIGNKABLFIYARZ-UHFFFAOYSA-N |
| PubChem CID | 12372992 |
| DTXSID | DTXSID90494934 |
Chemical & Physical Properties
| XLogP | 3.9 |
|---|---|
| Topological polar surface area | 72.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 5 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 377 |