Base information
| Cat. No. | |
| CAS No. | 27871-89-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H20O4 |
| Molecular Weight | 240.295 |
| Exact Mass | 240.136 |
| XLogP3 | 2.3868 |
| Mr | 65.0738 |
| PSA | 63.6 |
| Sequence | - |
| Atom number | 37 |
| Bond number | 37 |
| Ring number | 1 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CCCCCC1CC(=O)C=C(C1C(=O)OC)O |
