Base information
| Cat. No. | |
| CAS No. | 167951-48-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7NO4S |
| Molecular Weight | 213.21 |
| Exact Mass | 213.01 |
| XLogP3 | 2.0731 |
| Mr | 49.6795 |
| PSA | 81.18 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | O=C=Nc1ccccc1OS(=O)(=O)C |
