Cas no 20731-21-9 (6-Nonenoic acid, methylester)

6-Nonenoic acid, methylester structure
6-Nonenoic acid, methylester structure
Product Name:6-Nonenoic acid, methylester
CAS No:20731-21-9
MF:C10H18O2
MW:170.248723506927
CID:241487
PubChem ID:554042
Update Time:2025-04-19

6-Nonenoic acid, methylester Chemical and Physical Properties

Names and Identifiers

    • 6-Nonenoic acid, methylester
    • Methyl (6E)-6-nonenoate
    • Methyl(6E)-6-nonenoate
    • 20731-21-9
    • Inchi: 1S/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h4-5H,3,6-9H2,1-2H3
    • InChI Key: IAXJWKAHMIYBRY-UHFFFAOYSA-N
    • SMILES: O(C)C(CCCCC=CCC)=O

Computed Properties

  • Exact Mass: 170.130679813g/mol
  • Monoisotopic Mass: 170.130679813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 7
  • Complexity: 139
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 3.2
  • Topological Polar Surface Area: 26.3?2
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