Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H10O2
Datos Químicos de C6H10O2
ID
15670
Molecular Scaffold
gKP@DiVj@@
Molecular Formula
C6H10O2
Elemental Composition %
C: 33.3333333333333%
H: 55.5555555555556%
O: 11.1111111111111%
N: 0%
Weight
114.143
Programa de Cálculo
G16
SMILES
CO[C@@H](CC=C1)[C@@H]1O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H10O2/c1-8-6-4-2-3-5(6)7/h2-3,5-7H,4H2,1H3/t5-,6+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
SIKDSJALEJGFIN-RITPCOANSA-N