Cas no 174063-97-9 (Nonadeca-6,8-diynoic acid)

Nonadeca-6,8-diynoic acid structure
Nonadeca-6,8-diynoic acid structure
Product Name:Nonadeca-6,8-diynoic acid
CAS No:174063-97-9
MF:C19H30O2
MW:290.440306186676
CID:906035
PubChem ID:24206713
Update Time:2025-04-19

Nonadeca-6,8-diynoic acid Chemical and Physical Properties

Names and Identifiers

    • Nonadeca-6,8-diynoic acid
    • TIMTEC-BB SBB009149
    • 6,8-nonadecadiynoic acid
    • DTXSID90639868
    • SCHEMBL416143
    • 174063-97-9
    • Inchi： 1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-10,15-18H2,1H3,(H,20,21)
    • InChI Key： STCGDIJOEZNVHP-UHFFFAOYSA-N
    • SMILES： OC(CCCCC#CC#CCCCCCCCCCC)=O

Computed Properties

  • Exact Mass: 290.2247
  • Monoisotopic Mass: 290.224580195g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 12
  • Complexity: 383
  • 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: 6.9
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3

Nonadeca-6,8-diynoic acid Related Literature

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