HuagongsheHuagongshe Chemistry Print Report · For research reference only
Propanedial, (diphenylmethylene)-
Identifiers & Physical Properties
| CAS No. | 84457-00-1 |
|---|---|
| Molecular formula | C16H12O2 |
| Average molar mass | 236.26 g/mol |
| Monoisotopic mass | 236.08372962 g/mol |
| SMILES | O=CC(C=O)=C(c1ccccc1)c1ccccc1 |
| InChIKey | AWVMZANAISODTI-UHFFFAOYSA-N |
| PubChem CID | 11368354 |
| DTXSID | DTXSID70463769 |
Chemical & Physical Properties
| XLogP | 3.4 |
|---|---|
| Topological polar surface area | 34.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 4 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 288 |
| SpringerMaterials Properties | Chemical shift |