Cas no 95658-41-6 (2-Tridecynoic acid)

2-Tridecynoic acid structure
2-Tridecynoic acid structure
Product Name:2-Tridecynoic acid
CAS No:95658-41-6
MF:C13H22O2
MW:210.312584400177
CID:734912
PubChem ID:71331043
Update Time:2025-04-19

2-Tridecynoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Tridecynoic acid
    • tridec-2-ynoic acid
    • tridecynoic acid
    • SCHEMBL23116305
    • 95658-41-6
    • DTXSID60759668
    • Inchi: 1S/C13H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-10H2,1H3,(H,14,15)
    • InChI Key: LGSNTPIHVYSXAV-UHFFFAOYSA-N
    • SMILES: OC(C#CCCCCCCCCCC)=O

Computed Properties

  • Exact Mass: 210.161979940g/mol
  • Monoisotopic Mass: 210.161979940g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • 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: 5.5
  • Topological Polar Surface Area: 37.3?2
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