HuagongsheHuagongshe Chemistry Print Report · For research reference only
Agn-PC-04H4H2
Identifiers & Physical Properties
| CAS No. | 7241-51-2 |
|---|---|
| Molecular formula | C21H32O4 |
| Average molar mass | 348.5 g/mol |
| Monoisotopic mass | 348.2300595 g/mol |
| SMILES | COC(=O)C1(C)CCCC2(C)C1CCC13CC(C=CO1)C(C)CC32O |
| InChIKey | IZTXURNBNMYWSO-UHFFFAOYSA-N |
| PubChem CID | 5259377 |
| DTXSID | DTXSID70413885 |
Chemical & Physical Properties
| XLogP | 3.6 |
|---|---|
| Topological polar surface area | 55.8 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 25 |
| Formal charge | 0 |
| Complexity | 615 |