Base information
| Cat. No. | |
| CAS No. | 3420-57-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H6O2 |
| Molecular Weight | 98.0999 |
| Exact Mass | 98.0368 |
| XLogP3 | 1.2882 |
| Mr | 25.2 |
| PSA | 22.37 |
| Sequence | - |
| Atom number | 13 |
| Bond number | 13 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1cocc1 |
