Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H9NO3
Datos Químicos de C5H9NO3
ID
109849
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
CO[C@H]([C@@H]1NC=O)[C@H]1O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H9NO3/c1-9-5-3(4(5)8)6-2-7/h2-5,8H,1H3,(H,6,7)/t3-,4-,5+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
LCEZUBKRNQWFSO-WDCZJNDASA-N