Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H11NO
Datos Químicos de C6H11NO
ID
20021
Molecular Scaffold
gGy@BDizHvjjTVP@
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
CC[C@H]1O[C@H]1[C@@H]1NC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H11NO/c1-2-5-6(8-5)4-3-7-4/h4-7H,2-3H2,1H3/t4-,5+,6-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
QPVATVZKSQPMIQ-NGJCXOISSA-N