Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H4O3
Datos Químicos de C5H4O3
ID
5201
Molecular Scaffold
gKQ@@eKcRp@
Molecular Formula
C5H4O3
Elemental Composition %
C: 41.6666666666667%
H: 33.3333333333333%
O: 25%
N: 0%
Weight
112.084
Programa de Cálculo
G16
SMILES
O=COc1cocc1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H4O3/c6-4-8-5-1-2-7-3-5/h1-4H
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
CIBGXWRRBUMERG-UHFFFAOYSA-N