Base information
| Cat. No. | |
| CAS No. | 54004-46-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H16O2 |
| Molecular Weight | 144.211 |
| Exact Mass | 144.115 |
| XLogP3 | 1.1839 |
| Mr | 40.7408 |
| PSA | 29.46 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 26 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OCC1(C)CCC(CO1)C |
