Base information
| Cat. No. | |
| CAS No. | 1338-16-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H19FeO13 |
| Molecular Weight | 427.116 |
| Exact Mass | 427.018 |
| XLogP3 | -8.8405 |
| Mr | 69.5711 |
| PSA | 262 |
| Sequence | - |
| Atom number | 45 |
| Bond number | 42 |
| Ring number | 0 |
| Rotor number | 10 |
| Residues number | 0 |
| Canonical smiles | [O-]C(=O)C(CC(=O)[O-])(CC(=O)[O-])O.OCC([C@@H]([C@@H]([C@@H](CO)O)O)O)O.[Fe+3] |
