Base information
| Cat. No. | |
| CAS No. | 1268868-51-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H9NO6S |
| Molecular Weight | 235.214 |
| Exact Mass | 235.015 |
| XLogP3 | -1.0366 |
| Mr | 50.0993 |
| PSA | 146.07 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 23 |
| Ring number | 0 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | O=CC(=O)N[C@H](C(=O)O)CSCC(=O)O |
