Base information
| Cat. No. | |
| CAS No. | 1333-39-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6O4S |
| Molecular Weight | 174.174 |
| Exact Mass | 173.999 |
| XLogP3 | 1.7197 |
| Mr | 38.3238 |
| PSA | 82.98 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Oc1ccc(cc1)S(=O)(=O)O |
