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January 28, 2026
C7H11NO
Datos Químicos de C7H11NO
ID
23381
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(/[C@H]1[C@H]2C[C@@H]1C2)=NO
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11NO/c1-4(8-9)7-5-2-6(7)3-5/h5-7,9H,2-3H2,1H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
XWPKLCNGOLGHFZ-UHFFFAOYSA-N