Base information
| Cat. No. | |
| CAS No. | 2595-07-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H16O6 |
| Molecular Weight | 220.22 |
| Exact Mass | 220.095 |
| XLogP3 | -2.0111 |
| Mr | 49.6062 |
| PSA | 99.38 |
| Sequence | - |
| Atom number | 31 |
| Bond number | 31 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | C=CCO[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O |
