Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H9NO3
Datos Químicos de C5H9NO3
ID
118948
Molecular Scaffold
gKY@LDidZZ@@
Molecular Formula
C5H9NO3
Elemental Composition %
C: 27.7777777777778%
H: 50%
O: 16.6666666666667%
N: 5.55555555555556%
Weight
131.13
Programa de Cálculo
G16
SMILES
N=C1OC[C@@]1(CCO)O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H9NO3/c6-4-5(8,1-2-7)3-9-4/h6-8H,1-3H2/t5-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ODRRYHHWPKVZQP-RXMQYKEDSA-N