Cas no 62472-92-8 (8-Dodecenoic acid, methyl ester, (E)-)

8-Dodecenoic acid, methyl ester, (E)- structure
62472-92-8 structure
Product Name:8-Dodecenoic acid, methyl ester, (E)-
CAS No:62472-92-8
MF:C13H24O2
MW:212.328464508057
CID:443632
PubChem ID:71386079
Update Time:2025-04-19

8-Dodecenoic acid, methyl ester, (E)- Chemical and Physical Properties

Names and Identifiers

    • 8-Dodecenoic acid, methyl ester, (E)-
    • methyl dodec-8-enoate
    • Methyldodec-8-en-oat
    • 62472-92-8
    • DTXSID60808281
    • Inchi: 1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h5-6H,3-4,7-12H2,1-2H3
    • InChI Key: XFKBEJGCTIJNCY-UHFFFAOYSA-N
    • SMILES: O(C)C(CCCCCCC=CCCC)=O

Computed Properties

  • Exact Mass: 212.17772
  • Monoisotopic Mass: 212.177630004g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 10
  • Complexity: 173
  • 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: 4.3
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3
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