Base information
| Cat. No. | |
| CAS No. | 1291-76-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H16FeO2 |
| Molecular Weight | 272.121 |
| Exact Mass | 272.05 |
| XLogP3 | 2.6656 |
| Mr | 63.9998 |
| PSA | 37.3 |
| Sequence | - |
| Atom number | 33 |
| Bond number | 32 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | [CH]1[CH][CH][CH][CH]1.OC(=O)CCC[C]1[CH][CH][CH][CH]1.[Fe] |
