Base information
| Cat. No. | |
| CAS No. | 18829-55-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H12O |
| Molecular Weight | 112.17 |
| Exact Mass | 112.089 |
| XLogP3 | 1.9317 |
| Mr | 35.489 |
| PSA | 17.07 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 19 |
| Ring number | 0 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CCCC/C=C/C=O |
