Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H6O3
Datos Químicos de C6H6O3
ID
37405
Molecular Scaffold
diLL@@XTieULIj{ajjjjZHbrEJWP@
Molecular Formula
C6H6O3
Elemental Composition %
C: 40%
H: 40%
O: 20%
N: 0%
Weight
126.111
Programa de Cálculo
G16
SMILES
O1[C@@H]2[C@@H]3O[C@H]4[C@@H]3O[C@H]4[C@@H]12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H6O3/c7-1-2(7)4-6-5(9-4)3(1)8-6/h1-6H/t1-,2-,3-,4-,5-,6+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
YKTKEVUDUKLBGC-PCTUYBJVSA-N