Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H5NO3
Datos Químicos de C5H5NO3
ID
30613
Molecular Scaffold
gKY@LDiZV@@
Molecular Formula
C5H5NO3
Elemental Composition %
C: 35.7142857142857%
H: 35.7142857142857%
O: 21.4285714285714%
N: 7.14285714285714%
Weight
127.099
Programa de Cálculo
G16
SMILES
OCC(c1cnco1)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H5NO3/c7-2-4(8)5-1-6-3-9-5/h1,3,7H,2H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
URCOUONIRXHAJD-UHFFFAOYSA-N