HuagongsheHuagongshe Chemistry Print Report · For research reference only
Butanedioic acid, 2-sulfo-, 1,4-didecyl ester
Identifiers & Physical Properties
| CAS No. | 4601-79-0 |
|---|---|
| Molecular formula | C24H46O7S |
| Average molar mass | 478.7 g/mol |
| Monoisotopic mass | 478.29642498 g/mol |
| SMILES | CCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCC)S(=O)(=O)O |
| InChIKey | HWJHLQSSWFHRQU-UHFFFAOYSA-N |
| PubChem CID | 90944 |
| DTXSID | DTXSID80275875 |
Chemical & Physical Properties
| XLogP | 7.9 |
|---|---|
| Topological polar surface area | 115 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 7 |
| Rotatable bonds | 24 |
| Heavy atoms | 32 |
| Formal charge | 0 |
| Complexity | 569 |