Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H11NO2
Datos Químicos de C6H11NO2
ID
101930
Molecular Scaffold
eO`BNZ`@
Molecular Formula
C6H11NO2
Elemental Composition %
C: 30%
H: 55%
O: 10%
N: 5%
Weight
129.158
Programa de Cálculo
G16
SMILES
CC([C@H]([C@@H]1NC1)OC)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H11NO2/c1-4(8)6(9-2)5-3-7-5/h5-7H,3H2,1-2H3/t5-,6-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
NXBYMFXOFZLFCB-PHDIDXHHSA-N