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January 28, 2026
C4H8O4
Datos Químicos de C4H8O4
ID
10784
Molecular Scaffold
gBP@DiVj`@
Molecular Formula
C4H8O4
Elemental Composition %
C: 25%
H: 50%
O: 25%
N: 0%
Weight
120.104
Programa de Cálculo
G16
SMILES
O[C@H]([C@@H]([C@@H]1O)O)[C@H]1O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H8O4/c5-1-2(6)4(8)3(1)7/h1-8H
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
HXFDFZSGILIIMP-UHFFFAOYSA-N