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January 28, 2026
C4H8N2O2
Datos Químicos de C4H8N2O2
ID
12256
Molecular Scaffold
gKT@@dfVj@@
Molecular Formula
C4H8N2O2
Elemental Composition %
C: 25%
H: 50%
O: 12.5%
N: 12.5%
Weight
116.12
Programa de Cálculo
G16
SMILES
N=C1N[C@H](CO)[C@@H]1O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H8N2O2/c5-4-3(8)2(1-7)6-4/h2-3,7-8H,1H2,(H2,5,6)/t2-,3-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
BWIZTCPRKOJPCF-HRFVKAFMSA-N