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January 28, 2026
C4H2N2O2
Datos Químicos de C4H2N2O2
ID
21755
Molecular Scaffold
daeD@HxFRempfzeih@@
Molecular Formula
C4H2N2O2
Elemental Composition %
C: 40%
H: 20%
O: 20%
N: 20%
Weight
110.072
Programa de Cálculo
G16
SMILES
c1noc2c1onc2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H2N2O2/c1-3-4(8-5-1)2-6-7-3/h1-2H
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
XKRCOTVMZHJRLD-UHFFFAOYSA-N