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January 28, 2026
C4H4N2O2
Datos Químicos de C4H4N2O2
ID
20706
Molecular Scaffold
gOt`CPdfUkZjPG|KXT@
Molecular Formula
C4H4N2O2
Elemental Composition %
C: 33.3333333333333%
H: 33.3333333333333%
O: 16.6666666666667%
N: 16.6666666666667%
Weight
112.088
Programa de Cálculo
G16
SMILES
C[C@@]1N=C[N]OC1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H6N2O2/c1-3-4(7)8-6-2-5-3/h2-3H,1H3,(H,5,6)/t3-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
FBNIZQQBFJTLKZ-VKHMYHEASA-N