Base information
| Cat. No. | |
| CAS No. | 1271-94-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H16FeO |
| Molecular Weight | 256.121 |
| Exact Mass | 256.055 |
| XLogP3 | 2.7799 |
| Mr | 62.428 |
| PSA | 17.07 |
| Sequence | - |
| Atom number | 32 |
| Bond number | 31 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | [CH]1[CH][CH][CH][CH]1.CCCC(=O)[C]1[CH][CH][CH][CH]1.[Fe] |
