Cas no 16900-60-0 (11-Dodecynoic acid)

11-Dodecynoic acid structure
11-Dodecynoic acid structure
Product Name:11-Dodecynoic acid
CAS No:16900-60-0
MF:C12H20O2
MW:196.286004066467
CID:186639
PubChem ID:152196
Update Time:2025-04-19

11-Dodecynoic acid Chemical and Physical Properties

Names and Identifiers

    • 11-Dodecynoic acid
    • dodec-11-ynoic acid
    • AT21759
    • SCHEMBL1050169
    • EN300-7493734
    • CHEBI:195921
    • LMFA01030474
    • 16900-60-0
    • DTXSID40168638
    • LCZC1164
    • DTXCID7091129
    • Inchi: 1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h1H,3-11H2,(H,13,14)
    • InChI Key: VEWMMYQRMAYPIE-UHFFFAOYSA-N
    • SMILES: OC(CCCCCCCCCC#C)=O

Computed Properties

  • Exact Mass: 196.1464
  • Monoisotopic Mass: 196.146
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 9
  • Complexity: 188
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.9
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 0.9746 (rough estimate)
  • Melting Point: 48°C (estimate)
  • Boiling Point: 356.18°C (rough estimate)
  • Flash Point: 149.8°C
  • Refractive Index: 1.4096 (estimate)
  • PSA: 37.3

11-Dodecynoic acid Pricemore >>

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