Base information
| Cat. No. | |
| CAS No. | 530-55-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H8O4 |
| Molecular Weight | 168.147 |
| Exact Mass | 168.042 |
| XLogP3 | 0.1988 |
| Mr | 40.078 |
| PSA | 52.6 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC1=CC(=O)C=C(C1=O)OC |
