Base information
| Cat. No. | |
| CAS No. | 16781-08-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H8NNaO4S |
| Molecular Weight | 261.23 |
| Exact Mass | 261.007 |
| XLogP3 | 2.6937 |
| Mr | 58.3828 |
| PSA | 111.83 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 25 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Nc1ccc2c(c1)c(O)cc(c2)S(=O)(=O)[O-].[Na+] |
