Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C4H6N2O2
Datos Químicos de C4H6N2O2
ID
12218
Molecular Scaffold
gKT@@dfVj@@
Molecular Formula
C4H6N2O2
Elemental Composition %
C: 28.5714285714286%
H: 42.8571428571429%
O: 14.2857142857143%
N: 14.2857142857143%
Weight
114.104
Programa de Cálculo
G16
SMILES
N=C([C@H](C1)O)N1C=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H6N2O2/c5-4-3(8)1-6(4)2-7/h2-3,5,8H,1H2/t3-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
HOECLBAVOVXFMI-GSVOUGTGSA-N