Base information
| Cat. No. | |
| CAS No. | 1287-16-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H12FeO2 |
| Molecular Weight | 244.067 |
| Exact Mass | 244.019 |
| XLogP3 | 1.8854 |
| Mr | 54.3858 |
| PSA | 37.3 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 26 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | [CH]1[CH][CH][CH][CH]1.OC(=O)C[C]1[CH][CH][CH][CH]1.[Fe] |
