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January 28, 2026
C2H2N4O2
Datos Químicos de C2H2N4O2
ID
21422
Molecular Scaffold
daDd@LinADfUjyjV`@
Molecular Formula
C2H2N4O2
Elemental Composition %
C: 20%
H: 20%
O: 20%
N: 40%
Weight
114.064
Programa de Cálculo
G16
SMILES
N=C(NN=N1)OC1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C2H2N4O2/c3-1-4-6-5-2(7)8-1/h(H2,3,4,5,7)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ZSXRBGDSBUHXRS-UHFFFAOYSA-N