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January 28, 2026
C6H11NO2
Datos Químicos de C6H11NO2
ID
105884
Molecular Scaffold
gJx@@eKEcUUD`@
Molecular Formula
C6H11NO2
Elemental Composition %
C: 30%
H: 55%
O: 10%
N: 5%
Weight
129.158
Programa de Cálculo
G16
SMILES
CN([C@H]1C2)[C@]1(CO)[C@@H]2O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H11NO2/c1-7-4-2-5(9)6(4,7)3-8/h4-5,8-9H,2-3H2,1H3/t4-,5+,6-,7?/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WVZOQSUQYRMEGC-KYDWDHDXSA-N