Base information
| Cat. No. | |
| CAS No. | 1103738-17-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H12O6 |
| Molecular Weight | 204.177 |
| Exact Mass | 204.063 |
| XLogP3 | -0.6917 |
| Mr | 42.5686 |
| PSA | 85.22 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 27 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OC(=O)[C@@H]1O[C@@H]2[C@H]([C@@H]1O)OC(O2)(C)C |