Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H7NO3
Datos Químicos de C5H7NO3
ID
55347
Molecular Scaffold
gBQ@@eJuT@@
Molecular Formula
C5H7NO3
Elemental Composition %
C: 31.25%
H: 43.75%
O: 18.75%
N: 6.25%
Weight
129.115
Programa de Cálculo
G16
SMILES
NC([C@H]1OC[C@H]1C=O)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H7NO3/c6-5(8)4-3(1-7)2-9-4/h1,3-4H,2H2,(H2,6,8)/t3-,4-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
NHWJPKXBRAKHCM-IMJSIDKUSA-N