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January 28, 2026
C5H4N2O
Datos Químicos de C5H4N2O
ID
21389
Molecular Scaffold
daeH@LXDieRinjVj@G|Hr]`
Molecular Formula
C5H4N2O
Elemental Composition %
C: 41.6666666666667%
H: 33.3333333333333%
O: 8.33333333333333%
N: 16.6666666666667%
Weight
108.1
Programa de Cálculo
G16
SMILES
[CH]1[N]Nc2c1cco2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H5N2O/c1-2-8-5-4(1)3-6-7-5/h1-3,6-7H
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
JTFDFCNYWUJQKL-UHFFFAOYSA-N