Base information
| Cat. No. | |
| CAS No. | 112-05-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.238 |
| Exact Mass | 158.131 |
| XLogP3 | 2.8216 |
| Mr | 47.1488 |
| PSA | 37.3 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 28 |
| Ring number | 0 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | CCCCCCCCC(=O)O |
