Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C3H4N2O2
Datos Químicos de C3H4N2O2
ID
891
Molecular Scaffold
gFx`BLeLzuK@@
Molecular Formula
C3H4N2O2
Elemental Composition %
C: 27.2727272727273%
H: 36.3636363636364%
O: 18.1818181818182%
N: 18.1818181818182%
Weight
100.077
Programa de Cálculo
G16
SMILES
NC(O1)=COC1=N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H4N2O2/c4-2-1-6-3(5)7-2/h1,5H,4H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
OFJHFVRFNQTFOP-UHFFFAOYSA-N