Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H5NO3
Datos Químicos de C5H5NO3
ID
44539
Molecular Scaffold
divL@BCArQQPkJ[nFijjbQTfWP@
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=C1O[C@@H]([C@H]2O[C@@H]22)[C@@H]2O1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H5NO3/c6-5-8-3-1-2(7-1)4(3)9-5/h1-4,6H/t1-,2-,3+,4+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
IZLTVNAGKUMEBV-MMPJQOAZSA-N