52217-38-6

Name 1H-Pyrazolo[3,4-b]pyridine-5-carbonitrile, 6,7-dihydro-3-methyl-6-oxo-1-phenyl-
CAS 52217-38-6
Molecular Formula C14H10N4O
MDL Number MFCD11890435
Molecular Weight 250.26
MOL File 52217-38-6.mol
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Chemical Properties

Melting point  306-308 °C(Solv: acetic acid (64-19-7))
Boiling point  504.8±50.0 °C(Predicted)
density  1.34±0.1 g/cm3(Predicted)
pka 9.68±0.40(Predicted)
InChI InChI=1S/C14H10N4O/c1-9-12-7-10(8-15)14(19)16-13(12)18(17-9)11-5-3-2-4-6-11/h2-7H,1H3,(H,16,19)
InChIKey ZLQQCJLXBVVVMR-UHFFFAOYSA-N
SMILES C12N(C3=CC=CC=C3)N=C(C)C=1C=C(C#N)C(=O)N2

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