Cas no 255873-12-2 (2,5-Dioxa-7,10-diazabicyclo[4.3.1]deca-1(10),6,8-triene)

2,5-Dioxa-7,10-diazabicyclo[4.3.1]deca-1(10),6,8-triene structure
255873-12-2 structure
Product Name:2,5-Dioxa-7,10-diazabicyclo[4.3.1]deca-1(10),6,8-triene
CAS No:255873-12-2
MF:C6H6N2O2
MW:138.124041080475
CID:246819
PubChem ID:45080116
Update Time:2025-04-19

2,5-Dioxa-7,10-diazabicyclo[4.3.1]deca-1(10),6,8-triene Chemical and Physical Properties

Names and Identifiers

    • 2,5-Dioxa-7,10-diazabicyclo[4.3.1]deca-1(10),6,8-triene
    • 2,5-Dioxa-7,10-diazabicyclo[4.3.1]deca-1(10),6,8-triene (9CI)
    • 255873-12-2
    • DTXSID70663888
    • Inchi: 1S/C6H6N2O2/c1-2-7-6-8-5(1)9-3-4-10-6/h1-2H,3-4H2
    • InChI Key: XNMUGVQKSMSACK-UHFFFAOYSA-N
    • SMILES: O1C2=CC=NC(=N2)OCC1

Computed Properties

  • Exact Mass: 138.04298
  • Monoisotopic Mass: 138.043
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 120
  • 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
  • Topological Polar Surface Area: 44.2A^2
  • XLogP3: 0.6

Experimental Properties

  • PSA: 44.24
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