Cas no 68958-52-1 (Neodecanoic acid,iron(3+) salt (3:1))

Neodecanoic acid,iron(3+) salt (3:1) structure
68958-52-1 structure
Product Name:Neodecanoic acid,iron(3+) salt (3:1)
CAS No:68958-52-1
MF:C30H57FeO6
MW:569.614991903305
CID:505447
PubChem ID:21286234
Update Time:2025-04-19

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

Names and Identifiers

    • Neodecanoic acid,iron(3+) salt (3:1)
    • iron(3+) neodecanoate
    • Ferric neodecanoate
    • iron(3+) tris(3,3,5,5-tetramethylhexanoate)
    • Neodecanoic acid, iron(3+) salt
    • 68958-52-1
    • Iron(3+) tris(2,2-diethylhexanoate)
    • DTXSID80988695
    • Inchi: 1S/3C10H20O2.Fe/c3*1-4-7-8-10(5-2,6-3)9(11)12;/h3*4-8H2,1-3H3,(H,11,12);/q;;;+3/p-3
    • InChI Key: OHWGRJKUIJTYCN-UHFFFAOYSA-K
    • SMILES: [Fe+3].[O-]C(C(CC)(CC)CCCC)=O.[O-]C(C(CC)(CC)CCCC)=O.[O-]C(C(CC)(CC)CCCC)=O

Computed Properties

  • Exact Mass: 567.35531
  • Monoisotopic Mass: 569.350450g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 37
  • Rotatable Bond Count: 15
  • Complexity: 131
  • 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

Experimental Properties

  • PSA: 120.39
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