Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H9NO
Datos Químicos de C7H9NO
ID
110476
Molecular Scaffold
dnV@@@rRJELRlJfjjjfAPdfHeT@
Molecular Formula
C7H9NO
Elemental Composition %
C: 38.8888888888889%
H: 50%
O: 5.55555555555556%
N: 5.55555555555556%
Weight
123.154
Programa de Cálculo
G16
SMILES
CO[C@H]1[C@@H]([C@@H]23)[C@H]4N2[C@@H]3[C@@H]14
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10NO/c1-9-7-2-4-3(7)6-5(2)8(4)6/h2-8H,1H3/t2-,3-,4-,5-,6+,7-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
UOPODCMFSQRRSG-JWCLTRPWSA-N