Cas no 506-31-0 (9-Eicosenoic acid)

9-Eicosenoic acid structure
9-Eicosenoic acid structure
Product Name:9-Eicosenoic acid
CAS No:506-31-0
MF:C20H38O2
MW:310.514526844025
CID:37879
PubChem ID:5460988
Update Time:2025-04-18

9-Eicosenoic acid Chemical and Physical Properties

Names and Identifiers

    • 9-Eicosenoic acid
    • (E)-icos-9-enoic acid
    • (E)-9-Icosenoic acid
    • 9-Icosenoic acid
    • icos-9-enoic acid
    • DTXSID6060135
    • 506-31-0
    • trans-Delta(9)-eicosenoic acid
    • C20:1n-11
    • Eicos-9t-ensaeure
    • gadelaidic acid
    • Q27114927
    • Nonadecen-(10)-carbonsaeure-(1)
    • Eikosen-(9)-saeure-(20)
    • (E)-eicos-9-enoic acid
    • 9t-Eicosensaeure
    • CHEBI:32422
    • Gadoleinsaure
    • eicos-9t-enoic acid
    • LMFA01030700
    • SCHEMBL150978
    • (9E)-icos-9-enoic acid
    • 9E-Eicosenoic acid
    • NS00019902
    • CHEBI:180273
    • 9-eicosaenoic acid
    • EINECS 208-032-9
    • Inchi: 1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h11-12H,2-10,13-19H2,1H3,(H,21,22)/b12-11+
    • InChI Key: LQJBNNIYVWPHFW-VAWYXSNFSA-N
    • SMILES: OC(CCCCCCC/C=C/CCCCCCCCCC)=O

Computed Properties

  • Exact Mass: 310.28700
  • Monoisotopic Mass: 310.287180451g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 17
  • Complexity: 258
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 7.6
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 0.8882
  • Melting Point: 23°C
  • Boiling Point: 419.84°C (estimate)
  • Refractive Index: 1.4597
  • PSA: 37.30000
  • LogP: 6.88870
  • FEMA: 3312

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