Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H6O3
Datos Químicos de C6H6O3
ID
106095
Molecular Scaffold
dndD@@IIfhfifjjlRYFP@
Molecular Formula
C6H6O3
Elemental Composition %
C: 40%
H: 40%
O: 20%
N: 0%
Weight
126.111
Programa de Cálculo
G16
SMILES
CO[C@@]12[C@@H]3O[C@H]1[C@H]2C3=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H6O3/c1-8-6-2-3(7)5(6)9-4(2)6/h2,4-5H,1H3/t2-,4-,5+,6-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
HDWZRSPQBXNQSL-FCEUPCFGSA-N