Base information
| Cat. No. | |
| CAS No. | 111-13-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H16O |
| Molecular Weight | 128.212 |
| Exact Mass | 128.12 |
| XLogP3 | 2.5458 |
| Mr | 40.77 |
| PSA | 17.07 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 24 |
| Ring number | 0 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | CCCCCCC(=O)C |
