Ferrocene | SBID = 1348 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C10H10Fe | ||
| M / g/mol: | 186.03 | ||
| Complexity: | 11.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags: metallocene
- Name: Ferrocene
- Preferred Abbreviation: Ferrocene
- IUPAC Name: cyclopenta-1,3-diene;iron(2+)
- CAS: 102-54-5
- CID: 7611
- InChiKey: KTWOOEGAPBSYNW-UHFFFAOYSA-N
- InChi: InChI=1S/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2
- CanoSmiles: [CH-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]
- IsoSmiles: [CH-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]
