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January 28, 2026
C4H7N3O2
Datos Químicos de C4H7N3O2
ID
128700
Molecular Scaffold
gK@ALeKcMH@
Molecular Formula
C4H7N3O2
Elemental Composition %
C: 25%
H: 43.75%
O: 12.5%
N: 18.75%
Weight
129.119
Programa de Cálculo
G16
SMILES
COc1n[nH]nc1OC
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H7N3O2/c1-8-3-4(9-2)6-7-5-3/h1-2H3,(H,5,6,7)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
YEZDSOIYQKQSLS-UHFFFAOYSA-N