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January 28, 2026
C6H10N2O
Datos Químicos de C6H10N2O
ID
112594
Molecular Scaffold
gBP@DiVj`@
Molecular Formula
C6H10N2O
Elemental Composition %
C: 31.5789473684211%
H: 52.6315789473684%
O: 5.26315789473684%
N: 10.5263157894737%
Weight
126.158
Programa de Cálculo
G16
SMILES
CO[C@H](C1)C[C@@]1(C#N)N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H10N2O/c1-9-5-2-6(8,3-5)4-7/h5H,2-3,8H2,1H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
FDDIAMXZKABMGK-UHFFFAOYSA-N