Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H4N2O
Datos Químicos de C6H4N2O
ID
130596
Molecular Scaffold
diUH@BxDfYTfxViZd@@
Molecular Formula
C6H4N2O
Elemental Composition %
C: 46.1538461538462%
H: 30.7692307692308%
O: 7.69230769230769%
N: 15.3846153846154%
Weight
120.111
Programa de Cálculo
G16
SMILES
O=C1c2ccnn2C=C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H4N2O/c9-6-2-4-8-5(6)1-3-7-8/h1-4H
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
HSRBVKWYBNJCCK-UHFFFAOYSA-N