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January 28, 2026
C7H8O2
Datos Químicos de C7H8O2
ID
41224
Molecular Scaffold
diTD@@EJUeInFjjjSDRAAQfXV]`
Molecular Formula
C7H8O2
Elemental Composition %
C: 41.1764705882353%
H: 47.0588235294118%
O: 11.7647058823529%
N: 0%
Weight
124.139
Programa de Cálculo
G16
SMILES
C1[C@@]2[CH]OC[C@]1[CH]OC2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10O2/c1-6-2-8-4-7(1)5-9-3-6/h2,5-7H,1,3-4H2/t6-,7-
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WTTSRTUZVPOJGD-LJGSYFOKSA-N