Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H9NO
Datos Químicos de C7H9NO
ID
106007
Molecular Scaffold
dnVH@FAJYTpjIjZjjjjDdJTf`@
Molecular Formula
C7H9NO
Elemental Composition %
C: 38.8888888888889%
H: 50%
O: 5.55555555555556%
N: 5.55555555555556%
Weight
123.154
Programa de Cálculo
G16
SMILES
CC[C@@]12N3[C@@H]4[C@H]2O[C@H]1[C@@H]34
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10NO/c1-2-7-5-3-4(8(3)7)6(7)9-5/h3-6,8H,2H2,1H3/t3-,4+,5-,6-,7-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
HHSGYFAZHYJDQB-REQIZBSHSA-N