Base information
| Cat. No. | |
| CAS No. | 54276-22-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H29ClO6 |
| Molecular Weight | 424.915 |
| Exact Mass | 424.165 |
| XLogP3 | 3.195 |
| Mr | 112.244 |
| PSA | 107.22 |
| Sequence | - |
| Atom number | 58 |
| Bond number | 59 |
| Ring number | 2 |
| Rotor number | 11 |
| Residues number | 0 |
| Canonical smiles | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@@H](COc1cccc(c1)Cl)O)O |
