1(ammoniomethyl),1'(carboxylic)ferrocene | SBID = 1830 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 4
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 1.0
Number of H-Bond Donors: 2.0
Number of H-Bond Acceptors: 2.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C14H20FeNO2+
M / g/mol: 290.1591
Complexity:
Number of Conformers:

Identifiers

  • Tags: metallocene, aromatic, cation, charged
  • Name: 1(ammoniomethyl),1'(carboxylic)ferrocene
  • Preferred Abbreviation: 1(ammoniomethyl),1'(carboxylic)ferrocene
  • IUPAC Name:
  • CAS:
  • CID: -754
  • InChiKey: YUWOXOIHOBEPGP-UHFFFAOYSA-O
  • InChi: InChI=1S/C6H8N.C6H5O2.2CH3.Fe/c7-5-6-3-1-2-4-6;7-6(8)5-3-1-2-4-5;;;/h1-4H,5,7H2;1-4H,(H,7,8);2*1H3;/p+1
  • CanoSmiles: OC(=O)C1=CC=C[CH]1.[NH3+]CC1=CC=C[CH]1.C[Fe]C
  • IsoSmiles: C[Fe]C.[NH3+]Cc1cccc1.O=C(c2cccc2)O