Base information
| Cat. No. | |
| CAS No. | 107-54-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H14O |
| Molecular Weight | 126.196 |
| Exact Mass | 126.104 |
| XLogP3 | 1.4167 |
| Mr | 39.9318 |
| PSA | 20.23 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 22 |
| Ring number | 0 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CC(CC(C#C)(O)C)C |
