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January 28, 2026
C3H2N2O3
Datos Químicos de C3H2N2O3
ID
21772
Molecular Scaffold
daEL@BXDiIeenZfX@@
Molecular Formula
C3H2N2O3
Elemental Composition %
C: 30%
H: 20%
O: 30%
N: 20%
Weight
114.06
Programa de Cálculo
G16
SMILES
O=C1NC=NOC1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H2N2O3/c6-2-3(7)8-5-1-4-2/h1H,(H,4,5,6)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
LJGPTXVJPVWXFR-UHFFFAOYSA-N