Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H6O3
Datos Químicos de C6H6O3
ID
45205
Molecular Scaffold
ditL@@RdfVWBX^EjjjlqDaP@
Molecular Formula
C6H6O3
Elemental Composition %
C: 40%
H: 40%
O: 20%
N: 0%
Weight
126.111
Programa de Cálculo
G16
SMILES
O=C1O[C@@H]2[C@]1(C1)O[C@H]1C2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H6O3/c7-5-6-2-3(9-6)1-4(6)8-5/h3-4H,1-2H2/t3-,4+,6-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
DQVXAUZIKAWFKA-RPDRRWSUSA-N