Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H7NO3
Datos Químicos de C5H7NO3
ID
85122
Molecular Scaffold
gKY@DDfVj@@
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
C[C@H]([C@]1(C=O)O)NC1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H7NO3/c1-3-5(9,2-7)4(8)6-3/h2-3,9H,1H3,(H,6,8)/t3-,5-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
NHZSZZBLEQFOFY-UCORVYFPSA-N