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January 28, 2026
C4H8N2O2
Datos Químicos de C4H8N2O2
ID
10716
Molecular Scaffold
eO`BNZ`@
Molecular Formula
C4H8N2O2
Elemental Composition %
C: 25%
H: 50%
O: 12.5%
N: 12.5%
Weight
116.12
Programa de Cálculo
G16
SMILES
NC([C@]1(CO)NC1)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H8N2O2/c5-3(8)4(2-7)1-6-4/h6-7H,1-2H2,(H2,5,8)/t4-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
YOELPGISXZXADO-BYPYZUCNSA-N