Base information
| Cat. No. | |
| CAS No. | 33009-52-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H3FeN |
| Molecular Weight | 229.015 |
| Exact Mass | 228.961 |
| XLogP3 | 1.37768 |
| Mr | 53.928 |
| PSA | 23.79 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 27 |
| Ring number | 10 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#CC=C[CH-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71 |
