Base information
| Cat. No. | |
| CAS No. | 12152-72-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8FeO3 |
| Molecular Weight | 220.003 |
| Exact Mass | 219.982 |
| XLogP3 | 1.7776 |
| Mr | 39.6825 |
| PSA | 0 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | C1CC=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe] |
