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January 28, 2026
C6H11NO2
Datos Químicos de C6H11NO2
ID
89848
Molecular Scaffold
dnF@@@RfvDijjj@@
Molecular Formula
C6H11NO2
Elemental Composition %
C: 30%
H: 55%
O: 10%
N: 5%
Weight
129.158
Programa de Cálculo
G16
SMILES
O[C@H](C[C@@]1(C2)NC1)[C@H]2O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H11NO2/c8-4-1-6(3-7-6)2-5(4)9/h4-5,7-9H,1-3H2/t4-,5+,6+
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
TUODXLRBMDZIHI-FMCRUOTFSA-N