Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H8N2O2
Datos Químicos de C5H8N2O2
ID
97049
Molecular Scaffold
daED@JxBRYWifjf@@
Molecular Formula
C5H8N2O2
Elemental Composition %
C: 29.4117647058824%
H: 47.0588235294118%
O: 11.7647058823529%
N: 11.7647058823529%
Weight
128.131
Programa de Cálculo
G16
SMILES
C/N=C(/NC1)OCC1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H8N2O2/c1-6-5-7-2-4(8)3-9-5/h2-3H2,1H3,(H,6,7)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
NKDNOVCPWSIBLD-UHFFFAOYSA-N