Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H9NO
Datos Químicos de C7H9NO
ID
107954
Molecular Scaffold
dnf@@@RieJrbZjjg@TQH@
Molecular Formula
C7H9NO
Elemental Composition %
C: 38.8888888888889%
H: 50%
O: 5.55555555555556%
N: 5.55555555555556%
Weight
123.154
Programa de Cálculo
G16
SMILES
OC[C@@]1(C2)[C@@H]3N2[C@H]1C=C3
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10NO/c9-4-7-3-8-5(7)1-2-6(7)8/h1-2,5-6,8-9H,3-4H2/t5-,6-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
OIWFOCBHAZCRCJ-WDSKDSINSA-N