Base information
| Cat. No. | |
| CAS No. | 78995-75-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H13NO5S |
| Molecular Weight | 247.268 |
| Exact Mass | 247.051 |
| XLogP3 | 1.7178 |
| Mr | 58.4055 |
| PSA | 115.24 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 29 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CNC[C@H](S(=O)(=O)O)c1ccc(c(c1)O)O |
