Base information
| Cat. No. | |
| CAS No. | 854262-01-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H14O6 |
| Molecular Weight | 218.204 |
| Exact Mass | 218.079 |
| XLogP3 | -2.5639 |
| Mr | 48.2422 |
| PSA | 99.38 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 29 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | C#CCO[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)O)O |
