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January 28, 2026
C5H4O4
Datos Químicos de C5H4O4
ID
46483
Molecular Scaffold
diTB@@RnrJIPpfxVijjF`@
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@@]1(CO2)OC1)C2=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H4O4/c6-3-4(7)8-1-5(3)2-9-5/h1-2H2/t5-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
IQPWDBJCKVTRBR-YFKPBYRVSA-N