Base information
| Cat. No. | |
| CAS No. | 569-58-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H17NO9 |
| Molecular Weight | 439.372 |
| Exact Mass | 439.09 |
| XLogP3 | 2.7699 |
| Mr | 111.464 |
| PSA | 172.67 |
| Sequence | - |
| Atom number | 49 |
| Bond number | 50 |
| Ring number | 3 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | OC(=O)C1=CC(=C(c2ccc(c(c2)C(=O)O)O)c2ccc(c(c2)C(=O)O)O)C=CC1=O.N |
