Base information
| Cat. No. | |
| CAS No. | 120-98-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H7NO7S2 |
| Molecular Weight | 269.252 |
| Exact Mass | 268.966 |
| XLogP3 | 2.2106 |
| Mr | 52.587 |
| PSA | 171.75 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 23 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | Nc1cc(cc(c1O)S(=O)(=O)O)S(=O)(=O)O |
