Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C4H6N2O2
Datos Químicos de C4H6N2O2
ID
7715
Molecular Scaffold
daED@JXDRYVkfjZ@@
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(CNC1)OC1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H6N2O2/c5-3-1-6-2-4(7)8-3/h5-6H,1-2H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KGYBVCCAKGDZBK-UHFFFAOYSA-N