Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H9NO2
Datos Químicos de C5H9NO2
ID
20129
Molecular Scaffold
dnFH@JAJ]hRfjjiHQH@
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
O[C@@H]([C@@H]1NC1)[C@@H]1OC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H9NO2/c7-5(3-1-6-3)4-2-8-4/h3-7H,1-2H2/t3-,4+,5+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
OJDFRNPNKAZHDS-WISUUJSJSA-N