HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Phenylprop-2-Enal
Identifiers & Physical Properties
| CAS No. | 104-55-2 |
|---|---|
| Molecular formula | C9H8O |
| Average molar mass | 132.16 g/mol |
| Monoisotopic mass | 132.05751487 g/mol |
| SMILES | O=CC=Cc1ccccc1 |
| InChIKey | KJPRLNWUNMBNBZ-UHFFFAOYSA-N |
| PubChem CID | 307 |
| ChEMBL | CHEMBL3187944 |
| DTXSID | DTXSID1024835 |
Chemical & Physical Properties
| XLogP | 1.9 |
|---|---|
| Topological polar surface area | 17.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 2 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 121 |