Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H11NO2
Datos Químicos de C6H11NO2
ID
84995
Molecular Scaffold
gFx`LJeLftu@@
Molecular Formula
C6H11NO2
Elemental Composition %
C: 30%
H: 55%
O: 10%
N: 5%
Weight
129.158
Programa de Cálculo
G16
SMILES
C[C@H](OC1(C)C)OC1=N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H11NO2/c1-4-8-5(7)6(2,3)9-4/h4,7H,1-3H3/t4-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
XOBLZNQQGBWEAE-BYPYZUCNSA-N