Base information
| Cat. No. | |
| CAS No. | 80809-81-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H26O3 |
| Molecular Weight | 326.429 |
| Exact Mass | 326.188 |
| XLogP3 | 3.5209 |
| Mr | 97.8848 |
| PSA | 54.37 |
| Sequence | - |
| Atom number | 50 |
| Bond number | 50 |
| Ring number | 1 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | OCC#CCCCC#CCCCCC1=C(C)C(=O)C(=C(C1=O)C)C |
