Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H9NO
Datos Químicos de C6H9NO
ID
13958
Molecular Scaffold
gJp@DjYdZjiH@
Molecular Formula
C6H9NO
Elemental Composition %
C: 35.2941176470588%
H: 52.9411764705882%
O: 5.88235294117647%
N: 5.88235294117647%
Weight
111.143
Programa de Cálculo
G16
SMILES
N=CO[C@]1(C2)[C@@H]2CC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H9NO/c7-4-8-6-2-1-5(6)3-6/h4-5,7H,1-3H2/t5-,6+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
OBMUGNJBMCBNDR-NTSWFWBYSA-N