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January 28, 2026
C5H4O4
Datos Químicos de C5H4O4
ID
48465
Molecular Scaffold
gKP`@TfVj@@
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=CC1(C=O)OCC1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H4O4/c6-2-5(3-7)4(8)1-9-5/h2-3H,1H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
OUSUVZVMBDEAOW-UHFFFAOYSA-N