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January 28, 2026
C7H11NO
Datos Químicos de C7H11NO
ID
105834
Molecular Scaffold
gGy@DDfWDujja`@
Molecular Formula
C7H11NO
Elemental Composition %
C: 35%
H: 55%
O: 5%
N: 5%
Weight
125.17
Programa de Cálculo
G16
SMILES
CC[C@]([C@H]1C)([C@@H]1N1)C1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11NO/c1-3-7-4(2)5(7)8-6(7)9/h4-5H,3H2,1-2H3,(H,8,9)/t4-,5-,7+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
TUPCLZCMGCIJIM-XAHCXIQSSA-N