Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H9NO
Datos Químicos de C6H9NO
ID
17469
Molecular Scaffold
dnfH@JAJUhPjijjjlbYJ`@
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
C[C@]12O[C@@H]1[C@H](C1)N1C2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H10NO/c1-6-3-7-2-4(7)5(6)8-6/h4-5,7H,2-3H2,1H3/t4-,5+,6+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
OAQXFRQSNLAUAC-SRQIZXRXSA-N