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January 28, 2026
C6H11NO2
Datos Químicos de C6H11NO2
ID
36991
Molecular Scaffold
diVD@N@diuYLxZjjjFP@
Molecular Formula
C6H11NO2
Elemental Composition %
C: 30%
H: 55%
O: 10%
N: 5%
Weight
129.158
Programa de Cálculo
G16
SMILES
C([C@@H]1NC1)OC1COC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H11NO2/c1-5(7-1)2-9-6-3-8-4-6/h5-7H,1-4H2/t5-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
UCUWIIYLWYURQU-RXMQYKEDSA-N