Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H8O3
Datos Químicos de C6H8O3
ID
47007
Molecular Scaffold
diTL@@RdfV^nxVjjiLWP@
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=C1OC[C@H]2O[C@@H]1CC2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H8O3/c7-6-5-2-1-4(9-5)3-8-6/h4-5H,1-3H2/t4-,5+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
PDEWSXDXDKEGEM-CRCLSJGQSA-N