Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H11NO
Datos Químicos de C6H11NO
ID
11863
Molecular Scaffold
gGx@@eMqFuUP@
Molecular Formula
C6H11NO
Elemental Composition %
C: 31.5789473684211%
H: 57.8947368421053%
O: 5.26315789473684%
N: 5.26315789473684%
Weight
113.159
Programa de Cálculo
G16
SMILES
OC[C@H](C1)C[C@]11NC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H11NO/c8-3-5-1-6(2-5)4-7-6/h5,7-8H,1-4H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ZLNBYFUTICGGJS-UHFFFAOYSA-N