Base information
| Cat. No. | |
| CAS No. | 111613-04-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H19ClO10+ |
| Molecular Weight | 454.812 |
| Exact Mass | 454.067 |
| XLogP3 | 0.8348 |
| Mr | 105.9 |
| PSA | 169.3 |
| Sequence | - |
| Atom number | 50 |
| Bond number | 53 |
| Ring number | 4 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | Oc1cc(O)c2c(c1)OC(=[C+](C2)O[C@@]1(Cl)OC[C@@H]([C@@H]([C@H]1O)O)O)c1ccc(c(c1)O)O |
