Base information
| Cat. No. | |
| CAS No. | 63738-92-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7NaO4S |
| Molecular Weight | 222.194 |
| Exact Mass | 221.996 |
| XLogP3 | 1.4953 |
| Mr | 45.3209 |
| PSA | 82.65 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | O=C(c1ccccc1)CS(=O)(=O)[O-].[Na+] |
