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January 28, 2026
C3H8O
Datos Químicos de C3H8O
ID
41
Molecular Formula
C3H8O
Elemental Composition %
C: 25%
H: 66.6666666666667%
O: 8.33333333333333%
N: 0%
Weight
60.0955
Programa de Cálculo
G16
SMILES
CCOC
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H8O/c1-3-4-2/h3H2,1-2H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
XOBKSJJDNFUZPF-UHFFFAOYSA-N