Base information
| Cat. No. | |
| CAS No. | 78-27-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H12O |
| Molecular Weight | 124.18 |
| Exact Mass | 124.089 |
| XLogP3 | 1.3148 |
| Mr | 37.8178 |
| PSA | 20.23 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | C#CC1(O)CCCCC1 |
