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January 28, 2026
C3H4N2O3
Datos Químicos de C3H4N2O3
ID
7241
Molecular Formula
C3H4N2O3
Elemental Composition %
C: 25%
H: 33.3333333333333%
O: 25%
N: 16.6666666666667%
Weight
116.076
Programa de Cálculo
G16
SMILES
NC(C(OC=O)=N)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H4N2O3/c4-2(7)3(5)8-1-6/h1,5H,(H2,4,7)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
GBTCJFLYUXZTOV-UHFFFAOYSA-N