Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C4H4N2O2
Datos Químicos de C4H4N2O2
ID
4153
Molecular Scaffold
gKY@BDiujf@@
Molecular Formula
C4H4N2O2
Elemental Composition %
C: 33.3333333333333%
H: 33.3333333333333%
O: 16.6666666666667%
N: 16.6666666666667%
Weight
112.088
Programa de Cálculo
G16
SMILES
N#C[C@@H]1OC/C1=NO
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H4N2O2/c5-1-4-3(6-7)2-8-4/h4,7H,2H2/t4-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
IDBKQUQULXONJU-BYPYZUCNSA-N