Base information
| Cat. No. | |
| CAS No. | 5663-96-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H12O2 |
| Molecular Weight | 140.18 |
| Exact Mass | 140.084 |
| XLogP3 | 1.6547 |
| Mr | 40.5038 |
| PSA | 37.3 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 21 |
| Ring number | 0 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCCCCC#CC(=O)O |
