HuagongsheHuagongshe Chemistry Print Report · For research reference only
Isophorol, (-)-
Identifiers & Physical Properties
| CAS No. | 64543-48-2 |
|---|---|
| Molecular formula | C9H16O |
| Average molar mass | 140.22 g/mol |
| Monoisotopic mass | 140.12011513 g/mol |
| SMILES | CC1=C[C@@H](O)CC(C)(C)C1 |
| InChIKey | LDRWAWZXDDBHTG-MRVPVSSYSA-N |
| PubChem CID | 6999727 |
Chemical & Physical Properties
| XLogP | 1.7 |
|---|---|
| Topological polar surface area | 20.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 156 |