1H-Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione


Chemical Name: 1H-Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
CAS Number: 2465-59-0
Product Number: AG002OY2(AGN-PC-0O87J2)
Synonyms:
MDL No:
Molecular Formula: C5H4N4O2
Molecular Weight: 152.1109

Identification/Properties


Properties
MP:
300 °C
BP:
662.9°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.8500 (estimate)
Solubility:
Soluble in DMSO.
Computed Properties
Molecular Weight:
152.113g/mol
XLogP3:
-0.9
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
152.033g/mol
Monoisotopic Mass:
152.033g/mol
Topological Polar Surface Area:
86.9A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
217
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

Safety Information


NMR Spectrum


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