Base information
| Cat. No. | |
| CAS No. | 123333-70-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6NNaO3S |
| Molecular Weight | 195.172 |
| Exact Mass | 194.997 |
| XLogP3 | 1.8349 |
| Mr | 38.8538 |
| PSA | 91.6 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Nc1ccc(cc1)S(=O)(=O)[O-].[Na+] |
