Base information
| Cat. No. | |
| CAS No. | 76697-50-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H13NO2S |
| Molecular Weight | 199.27 |
| Exact Mass | 199.067 |
| XLogP3 | 3.1129 |
| Mr | 53.5544 |
| PSA | 68.54 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 26 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | Nc1ccccc1S(=O)(=O)C(C)C |
