HuagongsheHuagongshe Chemistry Print Report · For research reference only
(Z)-Beta-Santalol
Identifiers & Physical Properties
| CAS No. | 42495-69-2 |
|---|---|
| Molecular formula | C15H24O |
| Average molar mass | 220.35 g/mol |
| Monoisotopic mass | 220.18271539 g/mol |
| SMILES | C=C1[C@H]2CC[C@H](C2)[C@@]1(C)CC/C=C(/C)CO |
| InChIKey | OJYKYCDSGQGTRJ-UGJHJVKRSA-N |
| PubChem CID | 11031396 |
| ChEMBL | CHEMBL459110 |
| DTXSID | DTXSID201377739 |
Chemical & Physical Properties
| XLogP | 4 |
|---|---|
| Topological polar surface area | 20.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 4 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 315 |