Base information
| Cat. No. | |
| CAS No. | 2695-37-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7NaO3S |
| Molecular Weight | 206.194 |
| Exact Mass | 206.001 |
| XLogP3 | 2.3145 |
| Mr | 44.5404 |
| PSA | 65.58 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | C=Cc1ccc(cc1)S(=O)(=O)[O-].[Na+] |
