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January 28, 2026
C5H4N2O2
Datos Químicos de C5H4N2O2
ID
123674
Molecular Scaffold
dnDD@@IIfRZfZjiDSPG|Qf@
Molecular Formula
C5H4N2O2
Elemental Composition %
C: 38.4615384615385%
H: 30.7692307692308%
O: 15.3846153846154%
N: 15.3846153846154%
Weight
124.099
Programa de Cálculo
G16
SMILES
[N][N][C@@]([C@H]1O[C@@H]2C1)C2=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H8N2O2/c6-7-4-2-1-3(9-2)5(4)8/h2-4,7H,1,6H2/t2-,3+,4-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
IOZMBFQCZMCWMQ-NUNKFHFFSA-N