Base information
| Cat. No. | |
| CAS No. | 1228-53-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H8N2O6S |
| Molecular Weight | 308.267 |
| Exact Mass | 308.01 |
| XLogP3 | 4.463 |
| Mr | 76.024 |
| PSA | 134.16 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 30 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | [O-][N+](=O)c1cccc(c1)S(=O)(=O)c1cccc(c1)[N+](=O)[O-] |
