Base information
| Cat. No. | |
| CAS No. | 107540-03-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H12O |
| Molecular Weight | 112.17 |
| Exact Mass | 112.089 |
| XLogP3 | 1.0282 |
| Mr | 34.8268 |
| PSA | 20.23 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 19 |
| Ring number | 0 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OCC(CC#C)(C)C |
