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January 28, 2026
C7H11NO
Datos Químicos de C7H11NO
ID
65663
Molecular Scaffold
gJx@@eRccUT@@
Molecular Formula
C7H11NO
Elemental Composition %
C: 35%
H: 55%
O: 5%
N: 5%
Weight
125.17
Programa de Cálculo
G16
SMILES
C[C@]1(CC=O)N2C[C@H]1C2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11NO/c1-7(2-3-9)6-4-8(7)5-6/h3,6H,2,4-5H2,1H3/t7-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KKFQLZIQNWJYSF-SSDOTTSWSA-N