Base information
| Cat. No. | |
| CAS No. | 57665-63-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H11NaO6S |
| Molecular Weight | 270.235 |
| Exact Mass | 270.017 |
| XLogP3 | 1.6973 |
| Mr | 53.9254 |
| PSA | 93.27 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 27 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | COc1cc(cc(c1OC)OC)S(=O)(=O)[O-].[Na+] |
