Base information
| Cat. No. | |
| CAS No. | 1271-55-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H12FeO |
| Molecular Weight | 228.068 |
| Exact Mass | 228.024 |
| XLogP3 | 1.9997 |
| Mr | 52.814 |
| PSA | 17.07 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 25 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | [CH]1[CH][CH][CH][CH]1.CC(=O)[C]1[CH][CH][CH][CH]1.[Fe] |
