Base information
| Cat. No. | |
| CAS No. | 126-87-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H22O2 |
| Molecular Weight | 198.302 |
| Exact Mass | 198.162 |
| XLogP3 | 2.092 |
| Mr | 60.3596 |
| PSA | 40.46 |
| Sequence | - |
| Atom number | 36 |
| Bond number | 35 |
| Ring number | 0 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CCCC(C#CC(CCC)(O)C)(O)C |
