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January 28, 2026
C3H6O2
Datos Químicos de C3H6O2
ID
77
Molecular Formula
C3H6O2
Elemental Composition %
C: 27.2727272727273%
H: 54.5454545454545%
O: 18.1818181818182%
N: 0%
Weight
74.0786
Programa de Cálculo
G16
SMILES
CC(OC)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KXKVLQRXCPHEJC-UHFFFAOYSA-N