4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,5-dihydro-1-phenyl-


Chemical Name: 4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,5-dihydro-1-phenyl-
CAS Number: 21314-17-0
Product Number: AG003LHC(AGN-PC-0O7U9C)
Synonyms:
MDL No:
Molecular Formula: C11H8N4O
Molecular Weight: 212.2074

Identification/Properties


Properties
MP:
304-307 °C
Form:
Solid
Computed Properties
Molecular Weight:
212.212g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
212.07g/mol
Monoisotopic Mass:
212.07g/mol
Topological Polar Surface Area:
59.3A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
311
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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338-P302+P352-P321-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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