Base information
| Cat. No. | |
| CAS No. | 79955-27-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C25H16O9 |
| Molecular Weight | 460.389 |
| Exact Mass | 460.079 |
| XLogP3 | 3.8034 |
| Mr | 114.655 |
| PSA | 125.43 |
| Sequence | - |
| Atom number | 50 |
| Bond number | 54 |
| Ring number | 5 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | CC(=O)Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3ccc(c2)C(=O)O)ccc(c1)OC(=O)C |
