Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H5NO2
Datos Químicos de C5H5NO2
ID
9584
Molecular Scaffold
eOHBNZ`@
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
C[C@@]1(C=O)O[C@H]1C#N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H5NO2/c1-5(3-7)4(2-6)8-5/h3-4H,1H3/t4-,5+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KXZWDCXPFDXOTJ-UHNVWZDZSA-N