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January 28, 2026
C3H3N3O2
Datos Químicos de C3H3N3O2
ID
21496
Molecular Scaffold
gKU@I`eKcRp@
Molecular Formula
C3H3N3O2
Elemental Composition %
C: 27.2727272727273%
H: 27.2727272727273%
O: 18.1818181818182%
N: 27.2727272727273%
Weight
113.076
Programa de Cálculo
G16
SMILES
NC(c1cnno1)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H3N3O2/c4-3(7)2-1-5-6-8-2/h1H,(H2,4,7)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
TYJVIMNVNJCNDX-UHFFFAOYSA-N