Cas no 78901-41-4 (1H,5H-Pyrazolo[1,2-a]pyrazole-1,5-dione, 3-methyl-)

1H,5H-Pyrazolo[1,2-a]pyrazole-1,5-dione, 3-methyl- structure
78901-41-4 structure
Product Name:1H,5H-Pyrazolo[1,2-a]pyrazole-1,5-dione, 3-methyl-
CAS No:78901-41-4
MF:C7H6N2O2
MW:150.134741306305
CID:553633
Update Time:2024-01-30

1H,5H-Pyrazolo[1,2-a]pyrazole-1,5-dione, 3-methyl- Chemical and Physical Properties

Names and Identifiers

    • 1H,5H-Pyrazolo[1,2-a]pyrazole-1,5-dione, 3-methyl-
    • 1H,5H-Pyrazolo[1,2-a]pyrazole-1,5-dione, 3-methyl-
    • Inchi: 1S/C7H6N2O2/c1-5-4-7(11)8-3-2-6(10)9(5)8/h2-4H,1H3
    • InChI Key: RZPAGIHJISBOSK-UHFFFAOYSA-N
    • SMILES: N12C(=O)C=CN1C(=O)C=C2C

Computed Properties

  • Exact Mass: 150.043
  • Monoisotopic Mass: 150.043
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 304
  • 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: 40.6A^2
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