HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl-12-oxo-trans-10-octadecenoate
Identifiers & Physical Properties
| CAS No. | 21308-79-2 |
|---|---|
| Molecular formula | C19H34O3 |
| Average molar mass | 310.5 g/mol |
| Monoisotopic mass | 310.25079494 g/mol |
| SMILES | CCCCCCC(=O)/C=C/CCCCCCCCC(=O)OC |
| InChIKey | OHJIOGJOUIOUTD-DTQAZKPQSA-N |
| PubChem CID | 5284424 |
| DTXSID | DTXSID6020854 |
Chemical & Physical Properties
| XLogP | 6 |
|---|---|
| Topological polar surface area | 43.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 16 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 308 |