HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Pivaloylamino-1-propanesulfonic acid
Identifiers & Physical Properties
| CAS No. | 736123-40-3 |
|---|---|
| Molecular formula | C8H17NO4S |
| Average molar mass | 223.29 g/mol |
| Monoisotopic mass | 223.0878292 g/mol |
| SMILES | CC(C)(C)C(=O)NCCCS(=O)(=O)O |
| InChIKey | AWSWPLNLFDUJQW-UHFFFAOYSA-N |
| PubChem CID | 11123727 |
| DTXSID | DTXSID60456009 |
Chemical & Physical Properties
| XLogP | 0.2 |
|---|---|
| Topological polar surface area | 91.9 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 5 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 283 |