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January 28, 2026
C6H11NO2
Datos Químicos de C6H11NO2
ID
76665
Molecular Scaffold
eO@Hyj@
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]1NC(C)=O)[C@H]1O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H11NO2/c1-3-5(6(3)9)7-4(2)8/h3,5-6,9H,1-2H3,(H,7,8)/t3-,5-,6-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
YYQCXFGEKSSTEE-FUTKDDECSA-N