Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H9NO
Datos Químicos de C7H9NO
ID
44534
Molecular Scaffold
divH@LCIEEBbinxZZjjIITZ`@
Molecular Formula
C7H9NO
Elemental Composition %
C: 38.8888888888889%
H: 50%
O: 5.55555555555556%
N: 5.55555555555556%
Weight
123.154
Programa de Cálculo
G16
SMILES
N=C(C1)O[C@H]2[C@@H]1[C@@H]1[C@H]2C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H9NO/c8-6-2-5-3-1-4(3)7(5)9-6/h3-5,7-8H,1-2H2/t3-,4-,5+,7+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
DPACKUZUMRSKHX-MEOJTODESA-N