Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H8O2
Datos Químicos de C6H8O2
ID
8327
Molecular Scaffold
dadD@@yIggB[fjj`@
Molecular Formula
C6H8O2
Elemental Composition %
C: 37.5%
H: 50%
O: 12.5%
N: 0%
Weight
112.128
Programa de Cálculo
G16
SMILES
O=C(C1)CC11COC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H8O2/c7-5-1-6(2-5)3-8-4-6/h1-4H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
JWNCVDJOXJTJPB-UHFFFAOYSA-N