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January 28, 2026
C5H5NO2NH
Datos Químicos de C5H5NO2NH
ID
24986
Molecular Scaffold
gFx`LDdrfmT`@
Molecular Formula
C5H5NO2NH
Elemental Composition %
C: 33.3333333333333%
H: 40%
O: 13.3333333333333%
N: 13.3333333333333%
Weight
126.115
Programa de Cálculo
G16
SMILES
[CH2]C(N1)=C([CH2])OC1=O.[H].[N]
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H5NO2.H3N.H2/c1-3-4(2)8-5(7)6-3;;/h1-2H2,(H,6,7);1H3;1H
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WGEOSFFDRHPWAA-UHFFFAOYSA-N