Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H6N2O2
Datos Químicos de C5H6N2O2
ID
126207
Molecular Scaffold
gKU@I`eKcRp@
Molecular Formula
C5H6N2O2
Elemental Composition %
C: 33.3333333333333%
H: 40%
O: 13.3333333333333%
N: 13.3333333333333%
Weight
126.115
Programa de Cálculo
G16
SMILES
CCc1c(C=O)nno1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H6N2O2/c1-2-5-4(3-8)6-7-9-5/h3H,2H2,1H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
OTEVQIQQOYZLQQ-UHFFFAOYSA-N