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January 28, 2026
C5H10N2O2
Datos Químicos de C5H10N2O2
ID
105494
Molecular Scaffold
gBQ@@eJuT@@
Molecular Formula
C5H10N2O2
Elemental Composition %
C: 26.3157894736842%
H: 52.6315789473684%
O: 10.5263157894737%
N: 10.5263157894737%
Weight
130.146
Programa de Cálculo
G16
SMILES
CNC1(COC1)C(N)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H10N2O2/c1-7-5(4(6)8)2-9-3-5/h7H,2-3H2,1H3,(H2,6,8)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
YTOAVSDHUWXABO-UHFFFAOYSA-N