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January 28, 2026
C3H4O3
Datos Químicos de C3H4O3
ID
431
Molecular Scaffold
gKP`@dfVj@@
Molecular Formula
C3H4O3
Elemental Composition %
C: 30%
H: 40%
O: 30%
N: 0%
Weight
88.0618
Programa de Cálculo
G16
SMILES
O[C@@H](CO1)C1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H4O3/c4-2-1-6-3(2)5/h2,4H,1H2/t2-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
LGUPRTLHPKMGHK-UWTATZPHSA-N