Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H6O3
Datos Químicos de C6H6O3
ID
24359
Molecular Scaffold
diTL@@hTiefnXZfZh@@
Molecular Formula
C6H6O3
Elemental Composition %
C: 40%
H: 40%
O: 20%
N: 0%
Weight
126.111
Programa de Cálculo
G16
SMILES
C1OCOc2cocc12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H6O3/c1-5-2-8-4-9-6(5)3-7-1/h1,3H,2,4H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
GAGHSWKXAJQEFN-UHFFFAOYSA-N