Base information
| Cat. No. | |
| CAS No. | 54145-95-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H14O3 |
| Molecular Weight | 170.206 |
| Exact Mass | 170.094 |
| XLogP3 | 1.4749 |
| Mr | 46.388 |
| PSA | 43.37 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 25 |
| Ring number | 0 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | C/C(=C\C(=O)OCCCC)/C=O |
