HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Phenyl-1,5-hexanedione

Identifiers & Physical Properties
| CAS No. | 6303-82-8 |
|---|---|
| Molecular formula | C12H14O2 |
| Average molar mass | 190.24 g/mol |
| Monoisotopic mass | 190.09937969 g/mol |
| SMILES | CC(=O)CCCC(=O)c1ccccc1 |
| InChIKey | SKIYUUSLSVEHAQ-UHFFFAOYSA-N |
| PubChem CID | 238513 |
| DTXSID | DTXSID00285815 |
Chemical & Physical Properties
| XLogP | 1.6 |
|---|---|
| Topological polar surface area | 34.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 5 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 202 |