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January 28, 2026
C3H8O2
Datos Químicos de C3H8O2
ID
82
Molecular Formula
C3H8O2
Elemental Composition %
C: 23.0769230769231%
H: 61.5384615384615%
O: 15.3846153846154%
N: 0%
Weight
76.0945
Programa de Cálculo
G16
SMILES
C[C@H](CO)O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
DNIAPMSPPWPWGF-GSVOUGTGSA-N