Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H8O2
Datos Químicos de C6H8O2
ID
18035
Molecular Scaffold
dadD@@iJUlf[jjjdqM@_paXv@
Molecular Formula
C6H8O2
Elemental Composition %
C: 37.5%
H: 50%
O: 12.5%
N: 0%
Weight
112.128
Programa de Cálculo
G16
SMILES
C1O[C@@H]2[C@@]1[CH]COC2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H9O2/c1-2-7-4-6-5(1)3-8-6/h1,5-6H,2-4H2/t5-,6-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
OOMGDGADHOKBMU-WDSKDSINSA-N