Base information
| Cat. No. | |
| CAS No. | 42217-00-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H16O3 |
| Molecular Weight | 172.222 |
| Exact Mass | 172.11 |
| XLogP3 | 1.3829 |
| Mr | 46.832 |
| PSA | 27.69 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 27 |
| Ring number | 0 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CCOC(C#C)(OCC)OCC |
