Base information
| Cat. No. | |
| CAS No. | 104-76-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H18O |
| Molecular Weight | 130.228 |
| Exact Mass | 130.136 |
| XLogP3 | 2.1951 |
| Mr | 41.7318 |
| PSA | 20.23 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 26 |
| Ring number | 0 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | CCCCC(CO)CC |
