Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H6O3
Datos Químicos de C6H6O3
ID
44747
Molecular Scaffold
diTL@@IdfYmaxVfjiLPp@
Molecular Formula
C6H6O3
Elemental Composition %
C: 40%
H: 40%
O: 20%
N: 0%
Weight
126.111
Programa de Cálculo
G16
SMILES
O=C(C[C@H]1O[C@@H]2C1)C2=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H6O3/c7-4-1-3-2-5(9-3)6(4)8/h3,5H,1-2H2/t3-,5-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
LXPLFEKHDQHKFH-NQXXGFSBSA-N