Base information
| Cat. No. | |
| CAS No. | 79814-40-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6O5 |
| Molecular Weight | 158.109 |
| Exact Mass | 158.022 |
| XLogP3 | -0.6084 |
| Mr | 31.612 |
| PSA | 69.67 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CC(=O)O[C@@H]1CC(=O)OC1=O |
