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January 28, 2026
C6H11NO2
Datos Químicos de C6H11NO2
ID
59418
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
C[C@H]([C@H]1N[C@]1(C)C=O)O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H11NO2/c1-4(9)5-6(2,3-8)7-5/h3-5,7,9H,1-2H3/t4-,5+,6-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
XAFXNEBUAGTPNU-NGJCXOISSA-N