Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H8O3
Datos Químicos de C5H8O3
ID
12972
Molecular Scaffold
gJq@@eLmcUUH`@
Molecular Formula
C5H8O3
Elemental Composition %
C: 31.25%
H: 50%
O: 18.75%
N: 0%
Weight
116.116
Programa de Cálculo
G16
SMILES
C[C@H]1O[C@@H]([C@H]2O)[C@]12O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H8O3/c1-2-5(7)3(6)4(5)8-2/h2-4,6-7H,1H3/t2-,3+,4-,5+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ZSSWHVFSAVRZEJ-LECHCGJUSA-N