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January 28, 2026
C8H8O
Datos Químicos de C8H8O
ID
133856
Molecular Scaffold
dad@@DjWinjjj`DC~JCDplYNsTM@
Molecular Formula
C8H8O
Elemental Composition %
C: 47.0588235294118%
H: 47.0588235294118%
O: 5.88235294117647%
N: 0%
Weight
120.151
Programa de Cálculo
G16
SMILES
O[C@]1(C2)[CH][C][CH]C[C@]2[CH]1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H9O/c9-8-4-2-1-3-7(5-8)6-8/h1,4-5,7,9H,3,6H2/t7-,8+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
XLZBABGBZDMIDE-JGVFFNPUSA-N