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January 28, 2026
C4H4O3N2
Datos Químicos de C4H4O3N2
ID
131659
Molecular Formula
C4H4O3N2
Elemental Composition %
C: 30.7692307692308%
H: 30.7692307692308%
O: 23.0769230769231%
N: 15.3846153846154%
Weight
128.087
Programa de Cálculo
G16
SMILES
N#N.OCC(C=C=O)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H4O3.N2/c5-2-1-4(7)3-6;1-2/h1,6H,3H2;
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VGZJQACYSPZLCJ-UHFFFAOYSA-N