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January 28, 2026
C5H8O4
Datos Químicos de C5H8O4
ID
104709
Molecular Scaffold
gKP`@dfVj@@
Molecular Formula
C5H8O4
Elemental Composition %
C: 29.4117647058824%
H: 47.0588235294118%
O: 23.5294117647059%
N: 0%
Weight
132.115
Programa de Cálculo
G16
SMILES
OCC(CO)(C1)OC1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H8O4/c6-2-5(3-7)1-4(8)9-5/h6-7H,1-3H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VLYOFWQAXOYJLB-UHFFFAOYSA-N