Base information
| Cat. No. | |
| CAS No. | 1271-47-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H10Fe |
| Molecular Weight | 210.053 |
| Exact Mass | 210.013 |
| XLogP3 | 2.0439 |
| Mr | 50.776 |
| PSA | 0 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | [CH]1[CH][CH][CH][CH]1.C#C[C]1[CH][CH][CH][CH]1.[Fe] |
