Base information
| Cat. No. | |
| CAS No. | 82031-33-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H13NO4S |
| Molecular Weight | 231.269 |
| Exact Mass | 231.057 |
| XLogP3 | 2.1403 |
| Mr | 54.6274 |
| PSA | 87 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 28 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | COCCOc1ccccc1S(=O)(=O)N |
