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January 28, 2026
C5H6N2O2
Datos Químicos de C5H6N2O2
ID
28097
Molecular Scaffold
gKT@@TiVj@_pefp
Molecular Formula
C5H6N2O2
Elemental Composition %
C: 33.3333333333333%
H: 40%
O: 13.3333333333333%
N: 13.3333333333333%
Weight
126.115
Programa de Cálculo
G16
SMILES
OC1=N[CH]N(CC=O)[CH]1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H6N2O2/c8-2-1-7-3-5(9)6-4-7/h2-4H,1H2,(H,6,9)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
FUYDZAZLCSLZNZ-UHFFFAOYSA-N