HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Methyl 2-sulphooleate
Identifiers & Physical Properties
| CAS No. | 64131-32-4 |
|---|---|
| Molecular formula | C19H36O5S |
| Average molar mass | 376.6 g/mol |
| Monoisotopic mass | 376.22834542 g/mol |
| SMILES | CCCCCCCC/C=C\CCCCCCC(C(=O)OC)S(=O)(=O)O |
| InChIKey | KFCIJTJJZAJPSW-KHPPLWFESA-N |
| PubChem CID | 6432905 |
| EC No. | 264-695-4 |
| DTXSID | DTXSID601223285 |
Chemical & Physical Properties
| XLogP | 6.4 |
|---|---|
| Topological polar surface area | 89.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 17 |
| Heavy atoms | 25 |
| Formal charge | 0 |
| Complexity | 451 |