Base information
| Cat. No. | |
| CAS No. | 28348-53-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H11NaO3S |
| Molecular Weight | 222.237 |
| Exact Mass | 222.033 |
| XLogP3 | 2.7949 |
| Mr | 49.0294 |
| PSA | 65.58 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 24 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CC(c1ccc(cc1)S(=O)(=O)[O-])C.[Na+] |
