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January 28, 2026
C5H4O3
Datos Químicos de C5H4O3
ID
5706
Molecular Scaffold
dadL@@sdieRinjVj@@
Molecular Formula
C5H4O3
Elemental Composition %
C: 41.6666666666667%
H: 33.3333333333333%
O: 25%
N: 0%
Weight
112.084
Programa de Cálculo
G16
SMILES
C1Oc(occ2)c2O1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H4O3/c1-2-6-5-4(1)7-3-8-5/h1-2H,3H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
JDEPTLFZLCZTGM-UHFFFAOYSA-N