Ferroceneacroboxylate | SBID = 1673 | Compound | Custom Molecule

Struc Structure

Download Image Download CDX

Molecular Properties

Interactions: 2
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: -1.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C11H9FeO2-
M / g/mol: 229.0
Complexity:
Number of Conformers:

Identifiers

  • Tags: metallocene, typical guest, charged
  • Name: Ferroceneacroboxylate
  • Preferred Abbreviation: Ferroceneacroboxylate
  • IUPAC Name:
  • CAS:
  • CID: -657
  • InChiKey:
  • InChi:
  • CanoSmiles: [][Fe][].[O-]C(c1cccc1)=O.c2cccc2
  • IsoSmiles: [][Fe][].[O-]C(c1cccc1)=O.c2cccc2