Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H7NO3
Datos Químicos de C5H7NO3
ID
95575
Molecular Scaffold
daFD@BCdfUVyjf`@
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
O[C@@H](COC=NC1)C1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H7NO3/c7-4-1-6-3-9-2-5(4)8/h3,5,8H,1-2H2/t5-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
CSXRFUQVYNHCQP-YFKPBYRVSA-N