Cas no 10522-19-7 (2-Dodecynoic acid,methyl ester)

2-Dodecynoic acid,methyl ester structure
10522-19-7 structure
Product Name:2-Dodecynoic acid,methyl ester
CAS No:10522-19-7
MF:C13H22O2
MW:210.312584400177
CID:200177
PubChem ID:324385
Update Time:2025-04-19

2-Dodecynoic acid,methyl ester Chemical and Physical Properties

Names and Identifiers

    • 2-Dodecynoic acid,methyl ester
    • Methylundecine carbonate
    • methyl dodec-2-ynoate
    • NSC 289577
    • NSC-289577
    • 10522-19-7
    • DTXSID80314894
    • NSC289577
    • Methyl undecine carbonate
    • AKOS014763253
    • 2-Dodecynoic acid, methyl ester
    • Inchi: 1S/C13H22O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-10H2,1-2H3
    • InChI Key: XMQXGBBTGXUSGX-UHFFFAOYSA-N
    • SMILES: O(C)C(C#CCCCCCCCCC)=O

Computed Properties

  • Exact Mass: 210.16206
  • Monoisotopic Mass: 210.161979940g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 8
  • Complexity: 219
  • 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: 5.3
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3

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