Base information
| Cat. No. | |
| CAS No. | 36016-40-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H13NO3S |
| Molecular Weight | 215.269 |
| Exact Mass | 215.062 |
| XLogP3 | 2.9719 |
| Mr | 53.4194 |
| PSA | 77.77 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 27 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | NOS(=O)(=O)c1c(C)cc(cc1C)C |
