HuagongsheHuagongshe Chemistry Print Report · For research reference only
(3E)-3,4-Diphenylbut-3-en-2-one
Identifiers & Physical Properties
| CAS No. | 38661-88-0 |
|---|---|
| Molecular formula | C16H14O |
| Average molar mass | 222.28 g/mol |
| Monoisotopic mass | 222.10446507 g/mol |
| SMILES | CC(=O)/C(=C/c1ccccc1)c1ccccc1 |
| InChIKey | PXTNHINUEHWZIX-VBKFSLOCSA-N |
| PubChem CID | 11413402 |
| DTXSID | DTXSID40465098 |
Chemical & Physical Properties
| XLogP | 3.7 |
|---|---|
| Topological polar surface area | 17.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 3 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 278 |