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January 28, 2026
C4H4N2O3
Datos Químicos de C4H4N2O3
ID
24975
Molecular Scaffold
diUL@LHJGIEEBb[aiij`@
Molecular Formula
C4H4N2O3
Elemental Composition %
C: 30.7692307692308%
H: 30.7692307692308%
O: 23.0769230769231%
N: 15.3846153846154%
Weight
128.087
Programa de Cálculo
G16
SMILES
N=C(N1)OC2=C1OCO2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H4N2O3/c5-4-6-2-3(9-4)8-1-7-2/h1H2,(H2,5,6)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
UBXOZFWLQHNFCT-UHFFFAOYSA-N