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January 28, 2026
C6H8O3
Datos Químicos de C6H8O3
ID
63013
Molecular Scaffold
dndD@@iJUhPfijjjbbHlSP@
Molecular Formula
C6H8O3
Elemental Composition %
C: 35.2941176470588%
H: 47.0588235294118%
O: 17.6470588235294%
N: 0%
Weight
128.127
Programa de Cálculo
G16
SMILES
C[C@]1([C@H]2O[C@H]2[C@H]2O[C@@H]12)O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H8O3/c1-6(7)4-2(8-4)3-5(6)9-3/h2-5,7H,1H3/t2-,3+,4-,5-,6-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
OVCVQKHOFBTBKB-AIECOIEWSA-N