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January 28, 2026
C7H9NO
Datos Químicos de C7H9NO
ID
39154
Molecular Scaffold
divH@FAJY]rb[ajjjhhfRdrABUgX
Molecular Formula
C7H9NO
Elemental Composition %
C: 38.8888888888889%
H: 50%
O: 5.55555555555556%
N: 5.55555555555556%
Weight
123.154
Programa de Cálculo
G16
SMILES
C([C@H]1OC2)N3[C@@H]1[C@]2[CH]C3
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11NO/c1-2-8-3-6-7(8)5(1)4-9-6/h1,5-8H,2-4H2/t5-,6+,7-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
NONNKKMZWDTAOA-XVMARJQXSA-N