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January 28, 2026
C5H8O3
Datos Químicos de C5H8O3
ID
10773
Molecular Scaffold
gKQ@@dsbuP@
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]([C@H](C1=O)O)[C@@H]1O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H8O3/c1-2-3(6)5(8)4(2)7/h2-4,6-7H,1H3/t3-,4-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WEZVUQNFWQYAET-IMJSIDKUSA-N