HuagongsheHuagongshe Chemistry Print Report · For research reference only
Heptanal, 2-(phenylmethoxy)-, (R)-
Identifiers & Physical Properties
| CAS No. | 84994-61-6 |
|---|---|
| Molecular formula | C14H20O2 |
| Average molar mass | 220.31 g/mol |
| Monoisotopic mass | 220.14632988 g/mol |
| SMILES | CCCCC[C@H](C=O)OCc1ccccc1 |
| InChIKey | PPTSRTIIAOKIOL-CQSZACIVSA-N |
| PubChem CID | 11031386 |
| DTXSID | DTXSID40452625 |
Chemical & Physical Properties
| XLogP | 3.5 |
|---|---|
| Topological polar surface area | 26.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 8 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 174 |