5-nitro-1H,2H,3H-pyrazolo[3,4-b]pyridin-3-one


Chemical Name: 5-nitro-1H,2H,3H-pyrazolo[3,4-b]pyridin-3-one
CAS Number: 1186609-73-3
Product Number: AG01DUCA(AG01DUCA)
Synonyms:
MDL No:
Molecular Formula: C6H4N4O3
Molecular Weight: 180.1210

Identification/Properties


Computed Properties
Molecular Weight:
180.123g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
180.028g/mol
Monoisotopic Mass:
180.028g/mol
Topological Polar Surface Area:
99.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
251
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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