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January 28, 2026
C7H11NO
Datos Químicos de C7H11NO
ID
110337
Molecular Scaffold
gGy@DDfWDujjVQ`@
Molecular Formula
C7H11NO
Elemental Composition %
C: 35%
H: 55%
O: 5%
N: 5%
Weight
125.17
Programa de Cálculo
G16
SMILES
CC[C@H]([C@H]12)[C@H]2N(C)C1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11NO/c1-3-4-5-6(4)8(2)7(5)9/h4-6H,3H2,1-2H3/t4-,5+,6+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
NDVCCBHYISXUIH-KVQBGUIXSA-N