Base information
| Cat. No. | |
| CAS No. | 80-71-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H8O2 |
| Molecular Weight | 112.127 |
| Exact Mass | 112.052 |
| XLogP3 | 1.1813 |
| Mr | 30.1398 |
| PSA | 37.3 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | OC1=C(C)CCC1=O |
