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January 28, 2026
C4H8O3
Datos Químicos de C4H8O3
ID
1728
Molecular Scaffold
gBQ@@eJuT@@
Molecular Formula
C4H8O3
Elemental Composition %
C: 26.6666666666667%
H: 53.3333333333333%
O: 20%
N: 0%
Weight
104.105
Programa de Cálculo
G16
SMILES
OCC1(COC1)O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H8O3/c5-1-4(6)2-7-3-4/h5-6H,1-3H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
TVRBHJADIOFJDI-UHFFFAOYSA-N