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January 28, 2026
C4H4O4
Datos Químicos de C4H4O4
ID
8796
Molecular Formula
C4H4O4
Elemental Composition %
C: 33.3333333333333%
H: 33.3333333333333%
O: 33.3333333333333%
N: 0%
Weight
116.072
Programa de Cálculo
G16
SMILES
OCC(C(C=O)=O)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H4O4/c5-1-3(7)4(8)2-6/h1,6H,2H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
XSEYITBSKRUSNL-UHFFFAOYSA-N