Base information
| Cat. No. | |
| CAS No. | 6705-49-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H8O2 |
| Molecular Weight | 112.127 |
| Exact Mass | 112.052 |
| XLogP3 | 0.5068 |
| Mr | 28.013 |
| PSA | 29.6 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 17 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | O=C1CCCC2C1O2 |
