Base information
| Cat. No. | |
| CAS No. | 5497-67-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H12O |
| Molecular Weight | 112.17 |
| Exact Mass | 112.089 |
| XLogP3 | 1.7876 |
| Mr | 35.229 |
| PSA | 17.07 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 19 |
| Ring number | 0 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | C=CCC(C=O)(C)C |
