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January 28, 2026
C5H8O4
Datos Químicos de C5H8O4
ID
100565
Molecular Scaffold
eOHBNZ`@
Molecular Formula
C5H8O4
Elemental Composition %
C: 29.4117647058824%
H: 47.0588235294118%
O: 23.5294117647059%
N: 0%
Weight
132.115
Programa de Cálculo
G16
SMILES
OC[C@H](C([C@@H]1OC1)=O)O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H8O4/c6-1-3(7)5(8)4-2-9-4/h3-4,6-7H,1-2H2/t3-,4-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
PPWKSXNKFBUGTQ-QWWZWVQMSA-N