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January 28, 2026
C2H3N3O2
Datos Químicos de C2H3N3O2
ID
3886
Molecular Scaffold
gFt`IPTi[FfX@
Molecular Formula
C2H3N3O2
Elemental Composition %
C: 20%
H: 30%
O: 20%
N: 30%
Weight
101.065
Programa de Cálculo
G16
SMILES
NC(O1)=NOC1=N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C2H3N3O2/c3-1-5-7-2(4)6-1/h4H,(H2,3,5)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
LGXDWPRCVMWXIB-UHFFFAOYSA-N