Base information
| Cat. No. | |
| CAS No. | 1257379-83-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H8Fe3O16 |
| Molecular Weight | 647.782 |
| Exact Mass | 647.786 |
| XLogP3 | -4.5797 |
| Mr | 88.6291 |
| PSA | 295.56 |
| Sequence | - |
| Atom number | 45 |
| Bond number | 48 |
| Ring number | 4 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C1=[O][Fe+3]2([O-2]([Fe+3]([O-]1)O)[Fe+3](O)[O-]C(=[O]2)c1cc(cc(c1)C(=O)[O-])C(=O)[O-])[O-] |
