Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H7NO2
Datos Químicos de C5H7NO2
ID
18000
Molecular Scaffold
gGy@JDimXvjjTVP@
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=C[C@H]1N[C@@H]2[C@H]1OC2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H7NO2/c7-1-3-5-4(6-3)2-8-5/h1,3-6H,2H2/t3-,4-,5-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
CZSGSDYNOUXJPK-UOWFLXDJSA-N