Base information
| Cat. No. | |
| CAS No. | 52913-14-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H9NO3S |
| Molecular Weight | 187.216 |
| Exact Mass | 187.03 |
| XLogP3 | 2.3551 |
| Mr | 43.4874 |
| PSA | 77.77 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | NOS(=O)(=O)c1ccc(cc1)C |
