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January 28, 2026
C5H8O4
Datos Químicos de C5H8O4
ID
98901
Molecular Scaffold
gKP`AdiZj@@
Molecular Formula
C5H8O4
Elemental Composition %
C: 29.4117647058824%
H: 47.0588235294118%
O: 23.5294117647059%
N: 0%
Weight
132.115
Programa de Cálculo
G16
SMILES
COC(C1OCCO1)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H8O4/c1-7-4(6)5-8-2-3-9-5/h5H,2-3H2,1H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
QQLLIRBPUYRWJZ-UHFFFAOYSA-N