Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H8O3
Datos Químicos de C5H8O3
ID
18649
Molecular Scaffold
gGq@@eLxzuURdr@
Molecular Formula
C5H8O3
Elemental Composition %
C: 31.25%
H: 50%
O: 18.75%
N: 0%
Weight
116.116
Programa de Cálculo
G16
SMILES
O[C@H]([C@@H]12)[C@H]2OC[C@H]1O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H8O3/c6-2-1-8-5-3(2)4(5)7/h2-7H,1H2/t2-,3-,4-,5-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
LCVPTOPGHIARHT-FCAWWPLPSA-N