Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H11NO2
Datos Químicos de C6H11NO2
ID
116367
Molecular Scaffold
gOx`LBeJm]MT@@
Molecular Formula
C6H11NO2
Elemental Composition %
C: 30%
H: 55%
O: 10%
N: 5%
Weight
129.158
Programa de Cálculo
G16
SMILES
CC[C@@H]1OC=NCCO1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H11NO2/c1-2-6-8-4-3-7-5-9-6/h5-6H,2-4H2,1H3/t6-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
MLOXAIHVXAGBBF-LURJTMIESA-N