Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H6N2O2
Datos Químicos de C5H6N2O2
ID
24460
Molecular Scaffold
diUD@LxJRfUjEnijjhJ@aBql@
Molecular Formula
C5H6N2O2
Elemental Composition %
C: 33.3333333333333%
H: 40%
O: 13.3333333333333%
N: 13.3333333333333%
Weight
126.115
Programa de Cálculo
G16
SMILES
[CH]1N=C2OCOC[C@@]2N1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H7N2O2/c1-4-5(7-2-6-4)9-3-8-1/h2,4,6H,1,3H2/t4-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
SCLBUGFWUZOXEW-BYPYZUCNSA-N