Base information
| Cat. No. | |
| CAS No. | 1291-72-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H14FeO3 |
| Molecular Weight | 286.104 |
| Exact Mass | 286.029 |
| XLogP3 | 1.8446 |
| Mr | 64.1998 |
| PSA | 54.37 |
| Sequence | - |
| Atom number | 32 |
| Bond number | 31 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | [CH]1[CH][CH][CH][CH]1.O=C([C]1[CH][CH][CH][CH]1)CCC(=O)O.[Fe] |
