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January 28, 2026
C5H4O4
Datos Químicos de C5H4O4
ID
44271
Molecular Scaffold
diTB@@IarJJIFfkfjiiDUP@
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([C@@H]1OC2)O[C@H]1C2=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H4O4/c6-2-1-8-4-3(2)9-5(4)7/h3-4H,1H2/t3-,4+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
FWGYELVHZRAPAL-IUYQGCFVSA-N