Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H5NO3
Datos Químicos de C5H5NO3
ID
23254
Molecular Scaffold
dafD@BCdfYzYnZZjRdt@
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
O/N=C(/[C@H]1O[C@H]1C1)C1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H5NO3/c7-2-1-3-5(9-3)4(2)6-8/h3,5,8H,1H2/t3-,5+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
MHMJBRNQDUKVNC-WVZVXSGGSA-N