Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H6O2
Datos Químicos de C5H6O2
ID
1071
Molecular Scaffold
gKQ@@eKcRp@
Molecular Formula
C5H6O2
Elemental Composition %
C: 38.4615384615385%
H: 46.1538461538462%
O: 15.3846153846154%
N: 0%
Weight
98.1006
Programa de Cálculo
G16
SMILES
COc1cocc1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H6O2/c1-6-5-2-3-7-4-5/h2-4H,1H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VMMAQHURVWNQOM-UHFFFAOYSA-N