Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H7NO2
Datos Químicos de C5H7NO2
ID
18073
Molecular Scaffold
gJq@@eLmcUThl`@
Molecular Formula
C5H7NO2
Elemental Composition %
C: 33.3333333333333%
H: 46.6666666666667%
O: 13.3333333333333%
N: 6.66666666666667%
Weight
113.116
Programa de Cálculo
G16
SMILES
O=CN[C@@H]1[C@@H]2OC[C@H]12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H7NO2/c7-2-6-4-3-1-8-5(3)4/h2-5H,1H2,(H,6,7)/t3-,4-,5-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
DLBRGUDRNMBECF-YUPRTTJUSA-N