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January 28, 2026
C7H8O2
Datos Químicos de C7H8O2
ID
39148
Molecular Scaffold
ditD@@EJY]rb[ajjjhhVJhtABYeX
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@@H]2OC[C@@]3[C@@]2[C@@H]1OC3
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10O2/c1-5-7-4(2-8-5)3-9-6(1)7/h4-7H,1-3H2/t4-,5-,6-,7+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VOXXHXKDXFCGHI-ZTYPAOSTSA-N