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January 28, 2026
C3H6O3
Datos Químicos de C3H6O3
ID
477
Molecular Scaffold
eO@Hyj@
Molecular Formula
C3H6O3
Elemental Composition %
C: 25%
H: 50%
O: 25%
N: 0%
Weight
90.0776
Programa de Cálculo
G16
SMILES
O[C@H]([C@@H]1O)[C@H]1O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H6O3/c4-1-2(5)3(1)6/h1-6H
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KOXBHHOQWVRQSB-UHFFFAOYSA-N