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January 28, 2026
C7H11NO
Datos Químicos de C7H11NO
ID
77752
Molecular Scaffold
gGy@DDf[Dujj@@
Molecular Formula
C7H11NO
Elemental Composition %
C: 35%
H: 55%
O: 5%
N: 5%
Weight
125.17
Programa de Cálculo
G16
SMILES
C[C@H]([C@]1(C)[C@@H]2C)N1C2=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11NO/c1-4-6(9)8-5(2)7(4,8)3/h4-5H,1-3H3/t4-,5-,7-,8?/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KTJJGXAGBMRVJN-SWOGJVQHSA-N