Base information
| Cat. No. | |
| CAS No. | 1300-51-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H5NaO4S |
| Molecular Weight | 196.156 |
| Exact Mass | 195.981 |
| XLogP3 | 1.3771 |
| Mr | 36.4724 |
| PSA | 85.81 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Oc1ccccc1S(=O)(=O)[O-].[Na+] |
