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January 28, 2026
C4H2O3N2
Datos Químicos de C4H2O3N2
ID
130879
Molecular Formula
C4H2O3N2
Elemental Composition %
C: 36.3636363636364%
H: 18.1818181818182%
O: 27.2727272727273%
N: 18.1818181818182%
Weight
126.071
Programa de Cálculo
G16
SMILES
N#N.O=CC(C=O)=C=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H2O3.N2/c5-1-4(2-6)3-7;1-2/h1-2H;
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
YHROTEZDCGVFMW-UHFFFAOYSA-N