Base information
| Cat. No. | |
| CAS No. | 1161921-93-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7NO3S |
| Molecular Weight | 209.222 |
| Exact Mass | 209.015 |
| XLogP3 | 1.85508 |
| Mr | 49.6385 |
| PSA | 83.38 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | O=Cc1ccc(cc1S(=O)(=O)C)C#N |
