Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H8O2
Datos Químicos de C6H8O2
ID
19769
Molecular Scaffold
daTD@@qJYVfkfzjjjJETY]@@
Molecular Formula
C6H8O2
Elemental Composition %
C: 37.5%
H: 50%
O: 12.5%
N: 0%
Weight
112.128
Programa de Cálculo
G16
SMILES
C([C@@H]12)[C@@H]3OC[C@H]2[C@H]1O3
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H8O2/c1-3-4-2-7-5(1)8-6(3)4/h3-6H,1-2H2/t3-,4+,5+,6-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VVUQAQIDPJJJNR-KCDKBNATSA-N