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January 28, 2026
C4H3N3O2
Datos Químicos de C4H3N3O2
ID
25216
Molecular Scaffold
digD@D[`iIegxVif`ABH`x
Molecular Formula
C4H3N3O2
Elemental Composition %
C: 33.3333333333333%
H: 25%
O: 16.6666666666667%
N: 25%
Weight
125.087
Programa de Cálculo
G16
SMILES
O=C1N[CH]N=C[N]C1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H4N3O2/c8-3-4(9)7-2-5-1-6-3/h1-2H,(H,6,8)(H,5,7,9)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
YPZUFENSAGBFRL-UHFFFAOYSA-N