Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C4H4N2O2
Datos Químicos de C4H4N2O2
ID
20396
Molecular Scaffold
daeD@HpFRempfzjjZDPOxRDS@
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
C1[C@@]2O[N]N=C2OC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H6N2O2/c1-2-7-4-3(1)8-6-5-4/h3,6H,1-2H2/t3-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
DGIAQGBEAJXDCW-VKHMYHEASA-N