Base information
| Cat. No. | |
| CAS No. | 1300-72-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H9NaO3S |
| Molecular Weight | 208.21 |
| Exact Mass | 208.017 |
| XLogP3 | 2.2883 |
| Mr | 44.3814 |
| PSA | 65.58 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Cc1ccc(cc1C)S(=O)(=O)[O-].[Na+] |
