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January 28, 2026
C4H2N2O2
Datos Químicos de C4H2N2O2
ID
8973
Molecular Formula
C4H2N2O2
Elemental Composition %
C: 40%
H: 20%
O: 20%
N: 20%
Weight
110.072
Programa de Cálculo
G16
SMILES
N#CCOC(C#N)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H2N2O2/c5-1-2-8-4(7)3-6/h2H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
NTRCZJISVROHEE-UHFFFAOYSA-N