Base information
| Cat. No. | |
| CAS No. | 53827-87-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H7NO2S |
| Molecular Weight | 169.201 |
| Exact Mass | 169.02 |
| XLogP3 | 2.7151 |
| Mr | 47.482 |
| PSA | 84.62 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Sc1ccc(c(c1)C)[N+](=O)[O-] |
