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January 28, 2026
C5H4O3
Datos Químicos de C5H4O3
ID
16790
Molecular Scaffold
dadL@@KlbbbIUSMUMHdj@@
Molecular Formula
C5H4O3
Elemental Composition %
C: 41.6666666666667%
H: 33.3333333333333%
O: 25%
N: 0%
Weight
112.084
Programa de Cálculo
G16
SMILES
O=C(C1)[C@@H]2O[C@@H]2C1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H4O3/c6-2-1-3(7)5-4(2)8-5/h4-5H,1H2/t4-,5+
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
PISJWPLTGQVNDC-SYDPRGILSA-N