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January 28, 2026
C3H3N3O2
Datos Químicos de C3H3N3O2
ID
21680
Molecular Scaffold
gOt`LPdfUkZe`@
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(C=N1)=NOC1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H3N3O2/c4-2-1-5-3(7)8-6-2/h1H,(H2,4,6)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
PKPXDTZUMKJFGG-UHFFFAOYSA-N