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January 28, 2026
C6H12O3
Datos Químicos de C6H12O3
ID
104461
Molecular Scaffold
gFp`AdiTvjh@
Molecular Formula
C6H12O3
Elemental Composition %
C: 28.5714285714286%
H: 57.1428571428571%
O: 14.2857142857143%
N: 0%
Weight
132.158
Programa de Cálculo
G16
SMILES
CC1(COCOC1)OC
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H12O3/c1-6(7-2)3-8-5-9-4-6/h3-5H2,1-2H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
UNXMRCYLTDVJSV-UHFFFAOYSA-N