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January 28, 2026
C5H6O4
Datos Químicos de C5H6O4
ID
77430
Molecular Scaffold
dfDH@@ReXSBJjjjRDd@
Molecular Formula
C5H6O4
Elemental Composition %
C: 33.3333333333333%
H: 40%
O: 26.6666666666667%
N: 0%
Weight
130.099
Programa de Cálculo
G16
SMILES
O[C@H]([C@@]1([C@@H]2O[C@H]22)O)[C@@]12O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H6O4/c6-3-4(7)1-2(9-1)5(3,4)8/h1-3,6-8H/t1-,2+,3-,4+,5-
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
GSCGTTALPDXKCK-CTPMEXECSA-N