Cas no 94020-86-7 (Iron,(isononanoato-O)(neodecanoato-O)-(9CI))

Iron,(isononanoato-O)(neodecanoato-O)-(9CI) structure
94020-86-7 structure
Product Name:Iron,(isononanoato-O)(neodecanoato-O)-(9CI)
CAS No:94020-86-7
MF:C19H38FeO4
MW:386.347628116608
CID:818391
PubChem ID:56841187
Update Time:2025-04-19

Iron,(isononanoato-O)(neodecanoato-O)-(9CI) Chemical and Physical Properties

Names and Identifiers

    • Iron,(isononanoato-O)(neodecanoato-O)-(9CI)
    • 7,7-dimethyloctanoic acid,iron,7-methyloctanoic acid
    • (Isononanoato-O)(neodecanoato-O)iron
    • EINECS 301-381-9
    • 94020-86-7
    • Inchi: 1S/C10H20O2.C9H18O2.Fe/c1-10(2,3)8-6-4-5-7-9(11)12;1-8(2)6-4-3-5-7-9(10)11;/h4-8H2,1-3H3,(H,11,12);8H,3-7H2,1-2H3,(H,10,11);
    • InChI Key: KEEREKKNLLXBST-UHFFFAOYSA-N
    • SMILES: [Fe].OC(CCCCCC(C)(C)C)=O.OC(CCCCCC(C)C)=O

Computed Properties

  • Exact Mass: 386.211945g/mol
  • Monoisotopic Mass: 386.211945g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 12
  • Complexity: 309
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 74.6?2
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