Cas no 84522-39-4 (Benzeneacetic acid,iron(3+) salt (3:1))

Benzeneacetic acid,iron(3+) salt (3:1) structure
84522-39-4 structure
Product Name:Benzeneacetic acid,iron(3+) salt (3:1)
CAS No:84522-39-4
MF:C24H21FeO6
MW:461.264948606491
CID:732396
PubChem ID:56842319
Update Time:2025-04-19

Benzeneacetic acid,iron(3+) salt (3:1) Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetic acid,iron(3+) salt (3:1)
    • iron tris(phenylacetate)
    • iron(3+),2-phenylacetate
    • 84522-39-4
    • NS00090170
    • EINECS 283-035-6
    • DTXSID30233521
    • Inchi: 1S/3C8H8O2.Fe/c3*9-8(10)6-7-4-2-1-3-5-7;/h3*1-5H,6H2,(H,9,10);/q;;;+3/p-3
    • InChI Key: FYYIAFRCOODGSA-UHFFFAOYSA-K
    • SMILES: [Fe+3].[O-]C(CC1C=CC=CC=1)=O.[O-]C(CC1C=CC=CC=1)=O.[O-]C(CC1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 461.068749g/mol
  • Monoisotopic Mass: 461.068749g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 3
  • Complexity: 109
  • Covalently-Bonded Unit Count: 4
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 120?2
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