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January 28, 2026
C5H9NO3
Datos Químicos de C5H9NO3
ID
98895
Molecular Scaffold
gKP`AdiZj@@
Molecular Formula
C5H9NO3
Elemental Composition %
C: 27.7777777777778%
H: 50%
O: 16.6666666666667%
N: 5.55555555555556%
Weight
131.13
Programa de Cálculo
G16
SMILES
CNC(C1OCCO1)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H9NO3/c1-6-4(7)5-8-2-3-9-5/h5H,2-3H2,1H3,(H,6,7)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
UFHDPILVNGJPSW-UHFFFAOYSA-N