Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H8O3
Datos Químicos de C6H8O3
ID
79410
Molecular Scaffold
dfD@@DjYBRlJjjdRE@@
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]([C@@H]([C@@H]1C2)[C@]22O)[C@@]12O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H8O3/c7-4-3-2-1-5(3,8)6(2,4)9/h2-4,7-9H,1H2/t2-,3+,4+,5-,6+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
USGNNAWZIHJUQR-SXUWKVJYSA-N