Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H9NO
Datos Químicos de C6H9NO
ID
13238
Molecular Scaffold
gBQ@@eJuT@@
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#CCCC1COC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H9NO/c7-3-1-2-6-4-8-5-6/h6H,1-2,4-5H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
DRNKJGAACJECBU-UHFFFAOYSA-N