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January 28, 2026
C7H11NO
Datos Químicos de C7H11NO
ID
46992
Molecular Scaffold
diVH@FAIfU[nEjjjQEr@
Molecular Formula
C7H11NO
Elemental Composition %
C: 35%
H: 55%
O: 5%
N: 5%
Weight
125.17
Programa de Cálculo
G16
SMILES
O=C1[C@@H](CC2)C[C@@H]2NC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11NO/c9-7-4-8-6-2-1-5(7)3-6/h5-6,8H,1-4H2/t5-,6+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
OYAXILQYISGJKF-NTSWFWBYSA-N