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January 28, 2026
C5H4O4
Datos Químicos de C5H4O4
ID
67148
Molecular Scaffold
dndD@@IIfhfifjjdRL`@
Molecular Formula
C5H4O4
Elemental Composition %
C: 38.4615384615385%
H: 30.7692307692308%
O: 30.7692307692308%
N: 0%
Weight
128.083
Programa de Cálculo
G16
SMILES
O[C@@]1([C@@H](C2=O)O[C@@H]11)[C@]12O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H4O4/c6-1-2-5(8)3(9-2)4(1,5)7/h2-3,7-8H/t2-,3-,4-,5+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
QLQMFMHXZMHIDI-NEEWWZBLSA-N