Base information
| Cat. No. | |
| CAS No. | 84996-11-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H9NO5S |
| Molecular Weight | 231.226 |
| Exact Mass | 231.02 |
| XLogP3 | 2.698 |
| Mr | 55.188 |
| PSA | 108.57 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 24 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])O |
