Base information
| Cat. No. | |
| CAS No. | 1331-17-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H12O2 |
| Molecular Weight | 116.158 |
| Exact Mass | 116.084 |
| XLogP3 | 0.5698 |
| Mr | 32.7288 |
| PSA | 29.46 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 19 |
| Ring number | 0 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | C=CCOCC(O)C |
