Base information
| Cat. No. | |
| CAS No. | 89-02-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H4N2O7S |
| Molecular Weight | 248.17 |
| Exact Mass | 247.974 |
| XLogP3 | 2.8769 |
| Mr | 53.9448 |
| PSA | 154.39 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | [O-][N+](=O)c1cc(ccc1S(=O)(=O)O)[N+](=O)[O-] |
