Base information
| Cat. No. | |
| CAS No. | 6118-51-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6O4 |
| Molecular Weight | 166.131 |
| Exact Mass | 166.027 |
| XLogP3 | -0.3606 |
| Mr | 36.324 |
| PSA | 52.6 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 20 |
| Ring number | 3 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | O=C1OC(=O)[C@@H]2[C@H]1[C@H]1C=C[C@@H]2O1 |
