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January 28, 2026
C8H8O
Datos Químicos de C8H8O
ID
73992
Molecular Scaffold
daTH@@RYgJbYnZjjbRDjcHG|IfM`
Molecular Formula
C8H8O
Elemental Composition %
C: 47.0588235294118%
H: 47.0588235294118%
O: 5.88235294117647%
N: 0%
Weight
120.151
Programa de Cálculo
G16
SMILES
C[C@@]([C@@]1[C@@H]2[C@H]3[C@@H]2C1)C3=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10O/c1-3-4-2-5-6(4)7(5)8(3)9/h3-7H,2H2,1H3/t3-,4-,5+,6-,7+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ZSMSWWYQPGFHRL-NEVCITSRSA-N