Base information
| Cat. No. | |
| CAS No. | 109-53-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H12O |
| Molecular Weight | 100.159 |
| Exact Mass | 100.089 |
| XLogP3 | 1.8025 |
| Mr | 31.567 |
| PSA | 9.23 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 18 |
| Ring number | 0 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | C=COCC(C)C |
