Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H7NO2
Datos Químicos de C6H7NO2
ID
71926
Molecular Scaffold
daVH@BAIfWJkfyjjjqETz@@
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
O[C@]1([C@@H]2[C@H]3N[C@@H]2C1)C3=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H7NO2/c8-5-4-3-2(7-4)1-6(3,5)9/h2-4,7,9H,1H2/t2-,3-,4+,6-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ALSRGMCEZVKVNB-KAQMDTKVSA-N