Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H5NO3
Datos Químicos de C5H5NO3
ID
124095
Molecular Scaffold
diVL@ABfRfVZyaijf`@
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
C1OCOc2c1onc2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H5NO3/c1-4-5(9-6-1)2-7-3-8-4/h1H,2-3H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
SWIFFRKFDLWSKN-UHFFFAOYSA-N