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January 28, 2026
C5H8O4
Datos Químicos de C5H8O4
ID
77930
Molecular Scaffold
gJp@DjTZj`@
Molecular Formula
C5H8O4
Elemental Composition %
C: 29.4117647058824%
H: 47.0588235294118%
O: 23.5294117647059%
N: 0%
Weight
132.115
Programa de Cálculo
G16
SMILES
O[C@H]([C@H]([C@@H]1O)[C@@H]2O)[C@]12O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H8O4/c6-2-1-3(7)5(2,9)4(1)8/h1-4,6-9H/t1?,2-,3-,4+,5?/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
YGMDXFPMTZAJAM-VPJZHATNSA-N