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January 28, 2026
C7H11NO
Datos Químicos de C7H11NO
ID
23612
Molecular Scaffold
daf@@@RYfJfyjjh@@
Molecular Formula
C7H11NO
Elemental Composition %
C: 35%
H: 55%
O: 5%
N: 5%
Weight
125.17
Programa de Cálculo
G16
SMILES
ON=C(C1CC1)C1CC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11NO/c9-8-7(5-1-2-5)6-3-4-6/h5-6,9H,1-4H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
AEVSLBGUEKOQEE-UHFFFAOYSA-N