Base information
| Cat. No. | |
| CAS No. | 1191-16-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H12O2 |
| Molecular Weight | 128.169 |
| Exact Mass | 128.084 |
| XLogP3 | 1.5157 |
| Mr | 36.574 |
| PSA | 26.3 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 20 |
| Ring number | 0 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CC(=O)OCC=C(C)C |
