Base information
| Cat. No. | |
| CAS No. | 111-12-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H14O2 |
| Molecular Weight | 154.206 |
| Exact Mass | 154.099 |
| XLogP3 | 1.7431 |
| Mr | 44.824 |
| PSA | 26.3 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 24 |
| Ring number | 0 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CCCCCC#CC(=O)OC |
