Base information
| Cat. No. | |
| CAS No. | 110964-79-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7NO6S |
| Molecular Weight | 245.209 |
| Exact Mass | 244.999 |
| XLogP3 | 2.3005 |
| Mr | 55.3173 |
| PSA | 125.64 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 23 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | [O-][N+](=O)c1cc(ccc1C(=O)O)S(=O)(=O)C |
