Identifiers & Physical Properties
| CAS No. | 5941-92-4 |
|---|
| Molecular formula | C20H24O2 |
|---|
| Average molar mass | 296.4 g/mol |
|---|
| Monoisotopic mass | 296.17763001 g/mol |
|---|
| SMILES | CC[C@]12CCC3=C(CCc4cc(OC)ccc43)[C@@H]1CCC2=O |
|---|
| InChIKey | PFKPABPFEUSONI-ICSRJNTNSA-N |
|---|
| PubChem CID | 111113 |
|---|
| EC No. | 227-699-7 |
|---|
| DTXSID | DTXSID401036331 |
|---|
Chemical & Physical Properties
| XLogP | 3.1 |
|---|
| Topological polar surface area | 26.3 |
|---|
| Hydrogen bond donors | 0 |
|---|
| Hydrogen bond acceptors | 2 |
|---|
| Rotatable bonds | 2 |
|---|
| Heavy atoms | 22 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 506 |
|---|
Safety & Regulations
| GHS classification | Not Classified |
|---|
| Regulatory information | Status: Active Update: 21-12-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16675 |
|---|
| Hazard Classes and Categories | Not Classified |
|---|
