Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C4H2N2O3
Datos Químicos de C4H2N2O3
ID
24932
Molecular Scaffold
diUL@BhLGIEEBl[ajVZhY@bFp
Molecular Formula
C4H2N2O3
Elemental Composition %
C: 36.3636363636364%
H: 18.1818181818182%
O: 27.2727272727273%
N: 18.1818181818182%
Weight
126.071
Programa de Cálculo
G16
SMILES
N=C1OC2=N=CO[C@@]2O1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H3N2O3/c5-4-8-2-3(9-4)7-1-6-2/h1,3,5H/t3-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
CITLJRQGHZANIK-GSVOUGTGSA-N