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January 28, 2026
C6H8O3
Datos Químicos de C6H8O3
ID
95033
Molecular Scaffold
daTD@@yJYWJIfzjjjJEbIM@@
Molecular Formula
C6H8O3
Elemental Composition %
C: 35.2941176470588%
H: 47.0588235294118%
O: 17.6470588235294%
N: 0%
Weight
128.127
Programa de Cálculo
G16
SMILES
O[C@@H]1[C@H]([C@@H]2O[C@H]22)[C@H]2OC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H8O3/c7-2-1-8-4-3(2)5-6(4)9-5/h2-7H,1H2/t2-,3-,4-,5+,6+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
PYXRFWZYHPZUOD-TVIMKVIFSA-N