Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H7NO2
Datos Químicos de C6H7NO2
ID
37206
Molecular Scaffold
diND@AAdikeLKj[ajjjjJIbI]@@
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
C1O[C@]2([C@H]3N[C@@H]33)[C@]13OC2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H7NO2/c1-5-3-4(7-3)6(5,8-1)2-9-5/h3-4,7H,1-2H2/t3-,4-,5-,6-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
SCYHYVUHTKDLRN-KVTDHHQDSA-N