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January 28, 2026
C5H6O
Datos Químicos de C5H6O
ID
203
Molecular Scaffold
gKQ@@eKcRp@
Molecular Formula
C5H6O
Elemental Composition %
C: 41.6666666666667%
H: 50%
O: 8.33333333333333%
N: 0%
Weight
82.1016
Programa de Cálculo
G16
SMILES
Cc1cocc1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KJRRQXYWFQKJIP-UHFFFAOYSA-N