Base information
| Cat. No. | |
| CAS No. | 80809-95-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H26O5 |
| Molecular Weight | 358.428 |
| Exact Mass | 358.178 |
| XLogP3 | 2.6889 |
| Mr | 100.055 |
| PSA | 72.83 |
| Sequence | - |
| Atom number | 52 |
| Bond number | 52 |
| Ring number | 1 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | OCC#CCCCC#CCCCCC1=C(C)C(=O)C(=C(C1=O)OC)OC |
