Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H7NO2
Datos Químicos de C5H7NO2
ID
18633
Molecular Scaffold
dnFH@LAJYrjfijiBUP@
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
N=C([C@@H]12)OC[C@@H]2[C@@H]1O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H7NO2/c6-5-3-2(1-8-5)4(3)7/h2-4,6-7H,1H2/t2-,3-,4+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VRALZBZVWRCBDY-YVZJFKFKSA-N