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January 28, 2026
C2H2N2O2
Datos Químicos de C2H2N2O2
ID
754
Molecular Scaffold
gFt`IPTi[FfX@
Molecular Formula
C2H2N2O2
Elemental Composition %
C: 25%
H: 25%
O: 25%
N: 25%
Weight
86.0499
Programa de Cálculo
G16
SMILES
N=C1ON=CO1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C2H2N2O2/c3-2-5-1-4-6-2/h1,3H
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
MQSGBOXKEVQPMM-UHFFFAOYSA-N