Base information
| Cat. No. | |
| CAS No. | 105-31-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H10O |
| Molecular Weight | 98.143 |
| Exact Mass | 98.0732 |
| XLogP3 | 0.7806 |
| Mr | 30.2798 |
| PSA | 20.23 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 16 |
| Ring number | 0 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CCCC(C#C)O |
