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January 28, 2026
C6H8O3
Datos Químicos de C6H8O3
ID
72161
Molecular Scaffold
daTD@@qJYoJIjzjjjrDdj@@
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@](C1)(C2)[C@H]3O[C@@H]2[C@@H]1O3
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H8O3/c7-6-1-3-4(2-6)9-5(6)8-3/h3-5,7H,1-2H2/t3-,4+,5-,6-
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
YVHUPFSRKRGKHO-HMWJNGDSSA-N