Base information
| Cat. No. | |
| CAS No. | 80789-74-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H4NNaO5S |
| Molecular Weight | 249.176 |
| Exact Mass | 248.971 |
| XLogP3 | 0.9443 |
| Mr | 50.1636 |
| PSA | 111.75 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=C1Nc2c(C1=O)cc(cc2)S(=O)(=O)[O-].[Na+] |
