Base information
| Cat. No. | |
| CAS No. | 762-42-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6O4 |
| Molecular Weight | 142.109 |
| Exact Mass | 142.027 |
| XLogP3 | -0.6642 |
| Mr | 31.688 |
| PSA | 52.6 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 15 |
| Ring number | 0 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)C#CC(=O)OC |
