Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H7NO2
Datos Químicos de C6H7NO2
ID
45501
Molecular Scaffold
diVD@LBldTTJInFfjjQDtABM`x
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
N=C1O[C@@H]2OC[CH][C@]2C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H8NO2/c7-5-3-4-1-2-8-6(4)9-5/h1,4,6-7H,2-3H2/t4-,6-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KDSYQSPKEOFDEG-NJGYIYPDSA-N