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January 28, 2026
C4H6N2O2
Datos Químicos de C4H6N2O2
ID
7933
Molecular Scaffold
gOt`DqTfUMZi`@
Molecular Formula
C4H6N2O2
Elemental Composition %
C: 28.5714285714286%
H: 42.8571428571429%
O: 14.2857142857143%
N: 14.2857142857143%
Weight
114.104
Programa de Cálculo
G16
SMILES
C[C@H](C(N1)=O)OC1=N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H6N2O2/c1-2-3(7)6-4(5)8-2/h2H,1H3,(H2,5,6,7)/t2-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WNWAWYJJSALSTP-UWTATZPHSA-N