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January 28, 2026
C7H11NO
Datos Químicos de C7H11NO
ID
89721
Molecular Scaffold
dnF@@@RfvDijijbD@
Molecular Formula
C7H11NO
Elemental Composition %
C: 35%
H: 55%
O: 5%
N: 5%
Weight
125.17
Programa de Cálculo
G16
SMILES
CC([C@]1(C2)NC1)=C[C@H]2O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11NO/c1-5-2-6(9)3-7(5)4-8-7/h2,6,8-9H,3-4H2,1H3/t6-,7-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
YNHPGMODWBWKJN-RNFRBKRXSA-N