Cas no 16979-03-6 (Undecanal, 2-oxo-)

Undecanal, 2-oxo- structure
Undecanal, 2-oxo- structure
Product Name:Undecanal, 2-oxo-
CAS No:16979-03-6
MF:C11H20O2
MW:184.275303840637
CID:195960
PubChem ID:167602
Update Time:2025-04-19

Undecanal, 2-oxo- Chemical and Physical Properties

Names and Identifiers

    • Undecanal, 2-oxo-
    • 2-oxoundecanal
    • Nonylglyoxal
    • trans-10-methyldecalone
    • 16979-03-6
    • SCHEMBL1562758
    • DTXSID50168745
    • Inchi: 1S/C11H20O2/c1-2-3-4-5-6-7-8-9-11(13)10-12/h10H,2-9H2,1H3
    • InChI Key: MAIYNPKSRZDSSQ-UHFFFAOYSA-N
    • SMILES: O=C(C=O)CCCCCCCCC

Computed Properties

  • Exact Mass: 184.1464
  • Monoisotopic Mass: 184.146
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 9
  • Complexity: 141
  • 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: 34.1?2

Experimental Properties

  • Density: 0.9
  • Boiling Point: 249.2°Cat760mmHg
  • Flash Point: 94.2°C
  • Refractive Index: 1.433
  • PSA: 34.14
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