Cas no 100074-11-1 (2-[4-(Furan-2-yl)buta-1,3-diynyl]furan)

2-[4-(Furan-2-yl)buta-1,3-diynyl]furan structure
100074-11-1 structure
Product Name:2-[4-(Furan-2-yl)buta-1,3-diynyl]furan
CAS No:100074-11-1
MF:C12H6O2
MW:182.17484331131
CID:2860937
PubChem ID:13448494
Update Time:2025-04-21

2-[4-(Furan-2-yl)buta-1,3-diynyl]furan Chemical and Physical Properties

Names and Identifiers

    • 100074-11-1
    • 2,2a(2)-(1,3-Butadiyne-1,4-diyl)bis[furan]
    • DTXSID501278182
    • SCHEMBL5517928
    • 2-[4-(Furan-2-yl)buta-1,3-diynyl]furan
    • Inchi: 1S/C12H6O2/c1(5-11-7-3-9-13-11)2-6-12-8-4-10-14-12/h3-4,7-10H
    • InChI Key: HOFZXLHWCIYZHZ-UHFFFAOYSA-N
    • SMILES: O1C=CC=C1C#CC#CC1=CC=CO1

Computed Properties

  • Exact Mass: 182.036779g/mol
  • Monoisotopic Mass: 182.036779g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 285
  • 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
  • Molecular Weight: 182.17g/mol
  • XLogP3: 2.5
  • Topological Polar Surface Area: 26.3?2
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