Cas no 82073-91-4 (8,11-Eicosadiynoicacid)

8,11-Eicosadiynoicacid structure
8,11-Eicosadiynoicacid structure
Product Name:8,11-Eicosadiynoicacid
CAS No:82073-91-4
MF:C20H32O2
MW:304.466886520386
CID:720808
PubChem ID:1899
Update Time:2025-04-19

8,11-Eicosadiynoicacid Chemical and Physical Properties

Names and Identifiers

    • 8,11-Eicosadiynoicacid
    • icosa-8,11-diynoic acid
    • SCHEMBL3637501
    • CHEBI:185012
    • 82073-91-4
    • 1-[2-(4-Trifluoromethylphenyl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
    • DTXSID00274340
    • PD020608
    • LMFA01030688
    • 8,11-eicosadiynoic acid
    • 8,11-Eicosadinoic acid
    • EDYA
    • CS-0135946
    • HY-133949
    • Inchi: 1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-8,11,14-19H2,1H3,(H,21,22)
    • InChI Key: AJBBHZDIKZCZAI-UHFFFAOYSA-N
    • SMILES: OC(CCCCCCC#CCC#CCCCCCCCC)=O

Computed Properties

  • Exact Mass: 304.24000
  • Monoisotopic Mass: 304.240230259g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 12
  • Complexity: 396
  • 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: 7.4
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.30000
  • LogP: 5.55910

8,11-Eicosadiynoicacid Security Information

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