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January 28, 2026
C5H4O3
Datos Químicos de C5H4O3
ID
16483
Molecular Scaffold
dndD@@IIfhfifjjlQUF`@
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@@]1([C@H]2O[C@@H]3[C@@H]12)C3=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H4O3/c6-3-2-1-4(8-2)5(1,3)7/h1-2,4,7H/t1-,2+,4+,5-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VSXOVXJWKAVYKJ-RFRSXQRBSA-N