Base information
| Cat. No. | |
| CAS No. | 55028-72-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H30ClNaO6 |
| Molecular Weight | 448.913 |
| Exact Mass | 448.163 |
| XLogP3 | 3.3075 |
| Mr | 113.356 |
| PSA | 107.22 |
| Sequence | - |
| Atom number | 60 |
| Bond number | 60 |
| 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.[NaH] |
