Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H8O3
Datos Químicos de C6H8O3
ID
108782
Molecular Scaffold
gOp`ATfUkZZ`@
Molecular Formula
C6H8O3
Elemental Composition %
C: 35.2941176470588%
H: 47.0588235294118%
O: 17.6470588235294%
N: 0%
Weight
128.127
Programa de Cálculo
G16
SMILES
OCC(COC1)=CC1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H8O3/c7-2-5-1-6(8)4-9-3-5/h1,7H,2-4H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
JFDLKDSRFIGGLP-UHFFFAOYSA-N