Base information
| Cat. No. | |
| CAS No. | 31139-42-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H11NaO6S2 |
| Molecular Weight | 338.332 |
| Exact Mass | 337.989 |
| XLogP3 | 4.1211 |
| Mr | 72.7076 |
| PSA | 125.5 |
| Sequence | - |
| Atom number | 32 |
| Bond number | 32 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | OS(=O)(=O)c1ccc(cc1)c1ccc(cc1)S(=O)(=O)O.[NaH] |
