Base information
| Cat. No. | |
| CAS No. | 4166-20-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H10O4 |
| Molecular Weight | 170.163 |
| Exact Mass | 170.058 |
| XLogP3 | 0.7688 |
| Mr | 40.552 |
| PSA | 52.6 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CC(=O)OC1=C(C)OC(C1=O)C |
