Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H6O3
Datos Químicos de C6H6O3
ID
69155
Molecular Scaffold
daTD@@IIfXjifyjjjqIdj@@
Molecular Formula
C6H6O3
Elemental Composition %
C: 40%
H: 40%
O: 20%
N: 0%
Weight
126.111
Programa de Cálculo
G16
SMILES
O[C@]1([C@H]2C1)[C@@H]1O[C@@H]1C2=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H6O3/c7-3-2-1-6(2,8)5-4(3)9-5/h2,4-5,8H,1H2/t2-,4+,5+,6+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
FKZJQXLWBFOGCY-REXQBJLCSA-N