Base information
| Cat. No. | |
| CAS No. | 455951-69-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H12N2O4S |
| Molecular Weight | 244.268 |
| Exact Mass | 244.052 |
| XLogP3 | -0.4534 |
| Mr | 57.6713 |
| PSA | 119.57 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 29 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | O[C@@H]1C[C@H](O[C@H]1n1ccc(=O)[nH]c1=S)CO |
