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January 28, 2026
C5H4O3
Datos Químicos de C5H4O3
ID
15486
Molecular Scaffold
gFp`@dfTujX@
Molecular Formula
C5H4O3
Elemental Composition %
C: 41.6666666666667%
H: 33.3333333333333%
O: 25%
N: 0%
Weight
112.084
Programa de Cálculo
G16
SMILES
O=CC1=CCOC1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H4O3/c6-3-4-1-2-8-5(4)7/h1,3H,2H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WJCFHRXTCKNDGW-UHFFFAOYSA-N