Cas no 63400-12-4 (Pentadecanoic acid,zinc salt (2:1))

Pentadecanoic acid,zinc salt (2:1) structure
63400-12-4 structure
Product Name:Pentadecanoic acid,zinc salt (2:1)
CAS No:63400-12-4
MF:C15H30O2Zn
MW:307.806501865387
CID:525008
PubChem ID:87169563
Update Time:2025-04-19

Pentadecanoic acid,zinc salt (2:1) Chemical and Physical Properties

Names and Identifiers

    • Pentadecanoic acid,zinc salt (2:1)
    • zinc pentadecanoate
    • 264-127-5
    • Zinc dipentadecanoate
    • Inchi: 1S/C15H30O2.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;/h2-14H2,1H3,(H,16,17);
    • InChI Key: MEFIJKOKCGRWSK-UHFFFAOYSA-N
    • SMILES: [Zn].OC(CCCCCCCCCCCCCC)=O

Computed Properties

  • Exact Mass: 546.36284
  • Monoisotopic Mass: 546.362657
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 24
  • Complexity: 161
  • 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: 80.3

Experimental Properties

  • Boiling Point: 330.4°Cat760mmHg
  • Flash Point: 149.6°C
  • PSA: 80.26
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