Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H7NO3
Datos Químicos de C5H7NO3
ID
47038
Molecular Scaffold
dadL@@idiebZnjjjRIbADI`
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
[NH][C@@](OC1)O[C@H]2[C@@H]1OC2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H8NO3/c6-5-8-1-3-4(9-5)2-7-3/h3-6H,1-2H2/t3-,4+,5-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
CXDXKFZWDZOPEA-LMVFSUKVSA-N