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January 28, 2026
C6H10NO2
Datos Químicos de C6H10NO2
ID
81049
Molecular Scaffold
gJx@@eLlcUT@b@`
Molecular Formula
C6H10NO2
Elemental Composition %
C: 31.5789473684211%
H: 52.6315789473684%
O: 10.5263157894737%
N: 5.26315789473684%
Weight
128.15
Programa de Cálculo
G16
SMILES
C[C@@H]1[C@@]2(C(O)=O)[NH2][C@@H]1C2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H10NO2/c1-3-4-2-6(3,7-4)5(8)9/h3-4H,2,7H2,1H3,(H,8,9)/t3-,4-,6+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ZALASJOYPIVBSE-KODRXGBYSA-N