Base information
| Cat. No. | |
| CAS No. | 1606-79-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H12O3 |
| Molecular Weight | 144.168 |
| Exact Mass | 144.079 |
| XLogP3 | -0.6205 |
| Mr | 37.3336 |
| PSA | 49.69 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 21 |
| Ring number | 0 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | OCC#CCOCC(O)C |
