Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H8O3
Datos Químicos de C5H8O3
ID
14866
Molecular Scaffold
gBQ@@eJuT@@
Molecular Formula
C5H8O3
Elemental Composition %
C: 31.25%
H: 50%
O: 18.75%
N: 0%
Weight
116.116
Programa de Cálculo
G16
SMILES
CO[C@@H]1[C@H](C=O)OC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H8O3/c1-7-5-3-8-4(5)2-6/h2,4-5H,3H2,1H3/t4-,5+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ZAGMMXKQBDYOCR-CRCLSJGQSA-N