Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H8O3
Datos Químicos de C6H8O3
ID
73591
Molecular Scaffold
daTD@@yJUWBifzjjjpeTY@@
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@]1(COC2)[C@@H]2[C@H]2O[C@@H]12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H8O3/c7-6-2-8-1-3(6)4-5(6)9-4/h3-5,7H,1-2H2/t3-,4-,5+,6-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
XUCZTOYZLQORJT-ARQDHWQXSA-N