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January 28, 2026
C7H11NO
Datos Químicos de C7H11NO
ID
22417
Molecular Scaffold
gJp@DjTZj`@
Molecular Formula
C7H11NO
Elemental Composition %
C: 35%
H: 55%
O: 5%
N: 5%
Weight
125.17
Programa de Cálculo
G16
SMILES
C/C(/C1(C2)CC2C1)=NO
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11NO/c1-5(8-9)7-2-6(3-7)4-7/h6,9H,2-4H2,1H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VZIWUIPSJMDPOW-UHFFFAOYSA-N