Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H9NO2
Datos Químicos de C5H9NO2
ID
13609
Molecular Scaffold
eO`BNZ`@
Molecular Formula
C5H9NO2
Elemental Composition %
C: 29.4117647058824%
H: 52.9411764705882%
O: 11.7647058823529%
N: 5.88235294117647%
Weight
115.131
Programa de Cálculo
G16
SMILES
CN(C1)[C@H]1C(OC)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H9NO2/c1-6-3-4(6)5(7)8-2/h4H,3H2,1-2H3/t4-,6?/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
JULVTNYIDJCKHS-NJXYFUOMSA-N