Cas no 3103-72-8 (Benzo[1,2-d:3,4-d']diisoxazole(8CI,9CI))

Benzo[1,2-d:3,4-d']diisoxazole(8CI,9CI) structure
3103-72-8 structure
Product Name:Benzo[1,2-d:3,4-d']diisoxazole(8CI,9CI)
CAS No:3103-72-8
MF:C8H4N2O2
MW:160.129561424255
CID:294822
PubChem ID:57357925
Update Time:2025-04-19

Benzo[1,2-d:3,4-d']diisoxazole(8CI,9CI) Chemical and Physical Properties

Names and Identifiers

    • Benzo[1,2-d:3,4-d']diisoxazole(8CI,9CI)
    • Benzo[1,2-d:3,4-d]diisoxazole (8CI,9CI)
    • [1,2]oxazolo[5,4-e][1,2]benzoxazole
    • Benzo[1,2-d:3,4-d']bis[1,2]oxazole
    • DTXSID20723941
    • 3103-72-8
    • Inchi： 1S/C8H4N2O2/c1-2-7-6(4-10-11-7)8-5(1)3-9-12-8/h1-4H
    • InChI Key： KDLBQOCTNKZYCW-UHFFFAOYSA-N
    • SMILES： O1C2C(C=N1)=CC=C1C=2C=NO1

Computed Properties

  • Exact Mass: 160.02732
  • Monoisotopic Mass: 160.027277375g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 188
  • 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: 1.5
  • Topological Polar Surface Area: 52.1?2

Experimental Properties

  • PSA: 52.06

Benzo[1,2-d:3,4-d']diisoxazole(8CI,9CI) Related Literature

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