Base information
| Cat. No. | |
| CAS No. | 169696-83-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9NO6S2 |
| Molecular Weight | 291.301 |
| Exact Mass | 290.987 |
| XLogP3 | 2.39668 |
| Mr | 62.069 |
| PSA | 127.29 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 27 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | N#Cc1cc(ccc1OS(=O)(=O)C)OS(=O)(=O)C |
