Cas no 623564-77-2 (6,7-dihydro-4-oxo-4H-Pyrazolo[5,1-c][1,4]oxazine-2-carboxaldehyde)

6,7-dihydro-4-oxo-4H-Pyrazolo[5,1-c][1,4]oxazine-2-carboxaldehyde structure
623564-77-2 structure
Product Name:6,7-dihydro-4-oxo-4H-Pyrazolo[5,1-c][1,4]oxazine-2-carboxaldehyde
CAS No:623564-77-2
MF:C7H6N2O3
MW:166.13414144516
CID:1021122
PubChem ID:21941485
Update Time:2025-04-20

6,7-dihydro-4-oxo-4H-Pyrazolo[5,1-c][1,4]oxazine-2-carboxaldehyde Chemical and Physical Properties

Names and Identifiers

    • 6,7-dihydro-4-oxo-4H-Pyrazolo[5,1-c][1,4]oxazine-2-carboxaldehyde
    • 4H-Pyrazolo[5,1-c][1,4]oxazine-2-carboxaldehyde,6,7-dihydro-4-oxo-(9CI)
    • 4-oxo-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carbaldehyde
    • 623564-77-2
    • KUEDVGNDBLCOED-UHFFFAOYSA-N
    • SCHEMBL2927871
    • Inchi: 1S/C7H6N2O3/c10-4-5-3-6-7(11)12-2-1-9(6)8-5/h3-4H,1-2H2
    • InChI Key: KUEDVGNDBLCOED-UHFFFAOYSA-N
    • SMILES: O1C(C2=CC(C=O)=NN2CC1)=O

Computed Properties

  • Exact Mass: 166.03788
  • Monoisotopic Mass: 166.038
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 219
  • 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: 61.2A^2
  • XLogP3: -0.1

Experimental Properties

  • PSA: 61.19
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