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January 28, 2026
C7H11NO
Datos Químicos de C7H11NO
ID
111460
Molecular Scaffold
gGx@@eJqFuSRbT@
Molecular Formula
C7H11NO
Elemental Composition %
C: 35%
H: 55%
O: 5%
N: 5%
Weight
125.17
Programa de Cálculo
G16
SMILES
CC1=C[C@@H]2N[C@@H]2[C@@H]1OC
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11NO/c1-4-3-5-6(8-5)7(4)9-2/h3,5-8H,1-2H3/t5-,6-,7+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
SEOIQAMGPQHUEN-LYFYHCNISA-N