Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H7NO2
Datos Químicos de C6H7NO2
ID
37342
Molecular Scaffold
diND@J@TiV^DJf{ajjjjZDdrDfWP@
Molecular Formula
C6H7NO2
Elemental Composition %
C: 37.5%
H: 43.75%
O: 12.5%
N: 6.25%
Weight
125.127
Programa de Cálculo
G16
SMILES
N1[C@H]2[C@H]3O[C@H]3[C@@H]1[C@H]1O[C@@H]12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H7NO2/c7-1-3-5(8-3)2(7)6-4(1)9-6/h1-7H/t1-,2-,3-,4-,5-,6+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
QANARIRXHAWFDS-VLFADPLGSA-N