Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H9NO3
Datos Químicos de C5H9NO3
ID
76374
Molecular Scaffold
eO@Hyj@
Molecular Formula
C5H9NO3
Elemental Composition %
C: 27.7777777777778%
H: 50%
O: 16.6666666666667%
N: 5.55555555555556%
Weight
131.13
Programa de Cálculo
G16
SMILES
C[C@]([C@@H]1O)([C@H]1O)C(N)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H9NO3/c1-5(4(6)9)2(7)3(5)8/h2-3,7-8H,1H3,(H2,6,9)/t2-,3+,5-
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
LTFPUUALMYXXSP-IQNWIWEPSA-N