Base information
| Cat. No. | |
| CAS No. | 21093-18-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H13NO6S |
| Molecular Weight | 263.268 |
| Exact Mass | 263.046 |
| XLogP3 | 1.2983 |
| Mr | 59.2293 |
| PSA | 124.47 |
| Sequence | - |
| Atom number | 30 |
| Bond number | 30 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | CNCC(c1ccc(c(c1)O)OS(=O)(=O)O)O |
