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January 28, 2026
C3H6O
Datos Químicos de C3H6O
ID
48
Molecular Scaffold
gBQ@@eJuT@@
Molecular Formula
C3H6O
Elemental Composition %
C: 30%
H: 60%
O: 10%
N: 0%
Weight
58.0796
Programa de Cálculo
G16
SMILES
C1COC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H6O/c1-2-4-3-1/h1-3H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
AHHWIHXENZJRFG-UHFFFAOYSA-N