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January 28, 2026
C3H2N2O3
Datos Químicos de C3H2N2O3
ID
21432
Molecular Scaffold
daEL@BXDiIefnZiX@@
Molecular Formula
C3H2N2O3
Elemental Composition %
C: 30%
H: 20%
O: 30%
N: 20%
Weight
114.06
Programa de Cálculo
G16
SMILES
N=C1OC=NOC1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H2N2O3/c4-2-3(6)8-5-1-7-2/h1,4H
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
HWGJWVVMUTYOLO-UHFFFAOYSA-N