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January 28, 2026
C5H4O3
Datos Químicos de C5H4O3
ID
11635
Molecular Scaffold
gGp`@Tf[GUjjfP@
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[C@@]1(C2)O[C@H]2C1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H4O3/c6-2-5-1-3(8-5)4(5)7/h2-3H,1H2/t3-,5-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
LSOLRGJQGAZMJP-NQXXGFSBSA-N