Cas no 56630-34-3 (5-Nonynoic acid)

5-Nonynoic acid structure
5-Nonynoic acid structure
Product Name:5-Nonynoic acid
CAS No:56630-34-3
MF:C9H14O2
MW:154.206263065338
CID:348300
PubChem ID:556171
Update Time:2025-04-19

5-Nonynoic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Nonynoic acid
    • non-5-ynoic acid
    • SCHEMBL11053480
    • 56630-34-3
    • LMFA01030506
    • GIMQQWKASGCRDK-UHFFFAOYSA-N
    • DTXSID80339426
    • CHEBI:180446
    • Inchi: 1S/C9H14O2/c1-2-3-4-5-6-7-8-9(10)11/h2-3,6-8H2,1H3,(H,10,11)
    • InChI Key: GIMQQWKASGCRDK-UHFFFAOYSA-N
    • SMILES: OC(CCCC#CCCC)=O

Computed Properties

  • Exact Mass: 154.09942
  • Monoisotopic Mass: 154.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 4
  • Complexity: 171
  • 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: 2.1
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 1.0249 (rough estimate)
  • Melting Point: -3°C
  • Boiling Point: 308.54°C (rough estimate)
  • Refractive Index: 1.4558
  • PSA: 37.3
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