Base information
| Cat. No. | |
| CAS No. | 100-72-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H12O2 |
| Molecular Weight | 116.158 |
| Exact Mass | 116.084 |
| XLogP3 | 0.5478 |
| Mr | 31.0888 |
| PSA | 29.46 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OCC1CCCCO1 |
