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January 28, 2026
C5H4O4
Datos Químicos de C5H4O4
ID
47276
Molecular Scaffold
didB@@IaRYf~Eifh@@
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(COCC1=O)C1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H4O4/c6-3-1-9-2-4(7)5(3)8/h1-2H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
FEHVEVVZUMSQSR-UHFFFAOYSA-N