Base information
| Cat. No. | |
| CAS No. | 689-12-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H10O2 |
| Molecular Weight | 114.142 |
| Exact Mass | 114.068 |
| XLogP3 | 1.124 |
| Mr | 31.767 |
| PSA | 26.3 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 17 |
| Ring number | 0 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | C=CC(=O)OC(C)C |
