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January 28, 2026
C3H4N2O3
Datos Químicos de C3H4N2O3
ID
6255
Molecular Formula
C3H4N2O3
Elemental Composition %
C: 25%
H: 33.3333333333333%
O: 25%
N: 16.6666666666667%
Weight
116.076
Programa de Cálculo
G16
SMILES
NC(NC(C=O)=O)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H4N2O3/c4-3(8)5-2(7)1-6/h1H,(H3,4,5,7,8)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VRDSUCBIYVCDQC-UHFFFAOYSA-N