Base information
| Cat. No. | |
| CAS No. | 65446-19-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H16O9 |
| Molecular Weight | 400.336 |
| Exact Mass | 400.079 |
| XLogP3 | -0.1491 |
| Mr | 96.5874 |
| PSA | 172.59 |
| Sequence | - |
| Atom number | 45 |
| Bond number | 48 |
| Ring number | 4 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OCC(=O)[C@@]1(O)C[C@H](O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2O |
