Base information
| Cat. No. | |
| CAS No. | 457931-46-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H18O5S |
| Molecular Weight | 286.344 |
| Exact Mass | 286.087 |
| XLogP3 | -0.113 |
| Mr | 70.7822 |
| PSA | 115.45 |
| Sequence | - |
| Atom number | 37 |
| Bond number | 38 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@H](Sc2ccc(cc2)C)[C@H]([C@H]([C@@H]1O)O)O |
