Base information
| Cat. No. | |
| CAS No. | 85655-98-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H10O2 |
| Molecular Weight | 114.142 |
| Exact Mass | 114.068 |
| XLogP3 | -0.2454 |
| Mr | 31.4416 |
| PSA | 40.46 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 17 |
| Ring number | 0 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OCCC#CCCO |
