Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H5NO2
Datos Químicos de C5H5NO2
ID
18666
Molecular Scaffold
dafD@NADfVZZnZjZSIR@
Molecular Formula
C5H5NO2
Elemental Composition %
C: 38.4615384615385%
H: 38.4615384615385%
O: 15.3846153846154%
N: 7.69230769230769%
Weight
111.1
Programa de Cálculo
G16
SMILES
O=C1OC=N[C@@H]2[C@H]1C2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H5NO2/c7-5-3-1-4(3)6-2-8-5/h2-4H,1H2/t3-,4+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
BLXYJWZBIRROIE-DMTCNVIQSA-N