Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H9NO3
Datos Químicos de C5H9NO3
ID
56205
Molecular Scaffold
gBQ@@eJuT@@
Molecular Formula
C5H9NO3
Elemental Composition %
C: 27.7777777777778%
H: 50%
O: 16.6666666666667%
N: 5.55555555555556%
Weight
131.13
Programa de Cálculo
G16
SMILES
NC(COC1COC1)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H9NO3/c6-5(7)3-9-4-1-8-2-4/h4H,1-3H2,(H2,6,7)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VTPWKXFAOXBZQB-UHFFFAOYSA-N