Cas no 1191-79-3 (Octadecanoic acid,barium cadmium salt (4:1:1))

Octadecanoic acid,barium cadmium salt (4:1:1) structure
1191-79-3 structure
Product Name:Octadecanoic acid,barium cadmium salt (4:1:1)
CAS No:1191-79-3
MF:C72H140BaCdO8
MW:1383.61522388458
CID:198730
PubChem ID:20836014
Update Time:2025-04-19

Octadecanoic acid,barium cadmium salt (4:1:1) Chemical and Physical Properties

Names and Identifiers

    • Octadecanoic acid,barium cadmium salt (4:1:1)
    • barium cadmium tetrastearate
    • barium,calcium,octadecanoic acid
    • Barium cadmium stearate
    • Cadmium barium stearate
    • octadecanoic acid, barium calcium salt (4:1:1)
    • Stearic acid, barium cadmium salt (4:1:1)
    • Octadecanoic acid, barium cadmium salt (4:1:1)
    • DTXSID30890537
    • 1191-79-3
    • barium(2+);cadmium(2+);octadecanoate
    • NS00079321
    • Inchi: 1S/4C18H36O2.Ba.Cd/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h4*2-17H2,1H3,(H,19,20);;/q;;;;2*+2/p-4
    • InChI Key: RGWMBYHTBXZOTN-UHFFFAOYSA-J
    • SMILES: [Ba+2].[Cd+2].[O-]C(CCCCCCCCCCCCCCCCC)=O.[O-]C(CCCCCCCCCCCCCCCCC)=O.[O-]C(CCCCCCCCCCCCCCCCC)=O.[O-]C(CCCCCCCCCCCCCCCCC)=O

Computed Properties

  • Exact Mass: 1306.95532
  • Monoisotopic Mass: 1314.953954
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 82
  • Rotatable Bond Count: 64
  • Complexity: 202
  • Covalently-Bonded Unit Count: 6
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: nothing
  • Topological Polar Surface Area: 149

Experimental Properties

  • Density: g/cm3
  • Boiling Point: 359.4°Cat760mmHg
  • Flash Point: 162.4°C
  • PSA: 149.2
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