Base information
| Cat. No. | |
| CAS No. | 21565-82-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H8O2 |
| Molecular Weight | 112.127 |
| Exact Mass | 112.052 |
| XLogP3 | 0.5728 |
| Mr | 30.403 |
| PSA | 26.3 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 15 |
| Ring number | 0 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COC(=O)CCC#C |
