Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H5NO3
Datos Químicos de C5H5NO3
ID
45941
Molecular Scaffold
diVL@A@nRYirZnZjfhQ@@
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
N=C([C@@]12OC2)OCC1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H5NO3/c6-4-5(2-9-5)3(7)1-8-4/h6H,1-2H2/t5-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
YLRAWYUZWFOJGI-YFKPBYRVSA-N