Base information
| Cat. No. | |
| CAS No. | 6939-89-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H9NO5S |
| Molecular Weight | 219.215 |
| Exact Mass | 219.02 |
| XLogP3 | 2.0362 |
| Mr | 47.9872 |
| PSA | 103.29 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OC(=O)c1ccccc1S(=O)(=O)O.N |
