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January 28, 2026
C7H11NO
Datos Químicos de C7H11NO
ID
30913
Molecular Scaffold
gKX@@eKcRp@
Molecular Formula
C7H11NO
Elemental Composition %
C: 35%
H: 55%
O: 5%
N: 5%
Weight
125.17
Programa de Cálculo
G16
SMILES
Cc1c(CO)n(C)cc1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11NO/c1-6-3-4-8(2)7(6)5-9/h3-4,9H,5H2,1-2H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
BDGNWYRZBURUAC-UHFFFAOYSA-N