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January 28, 2026
C4H6N2O3
Datos Químicos de C4H6N2O3
ID
55430
Molecular Scaffold
gFx`LJeLftu@@
Molecular Formula
C4H6N2O3
Elemental Composition %
C: 26.6666666666667%
H: 40%
O: 20%
N: 13.3333333333333%
Weight
130.103
Programa de Cálculo
G16
SMILES
NC([C@H]1OCOC1=N)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H6N2O3/c5-3(7)2-4(6)9-1-8-2/h2,6H,1H2,(H2,5,7)/t2-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WNPQMWROKFHUCX-UWTATZPHSA-N