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January 28, 2026
C5H8O4
Datos Químicos de C5H8O4
ID
101095
Molecular Scaffold
eOHBNZ`@
Molecular Formula
C5H8O4
Elemental Composition %
C: 29.4117647058824%
H: 47.0588235294118%
O: 23.5294117647059%
N: 0%
Weight
132.115
Programa de Cálculo
G16
SMILES
OC[C@H]([C@]1(C=O)OC1)O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H8O4/c6-1-4(8)5(2-7)3-9-5/h2,4,6,8H,1,3H2/t4-,5-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VYCJFYDAXRBULI-RFZPGFLSSA-N