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January 28, 2026
C5H9NO
Datos Químicos de C5H9NO
ID
3296
Molecular Scaffold
gGx@@eSHzuURDb@
Molecular Formula
C5H9NO
Elemental Composition %
C: 31.25%
H: 56.25%
O: 6.25%
N: 6.25%
Weight
99.1325
Programa de Cálculo
G16
SMILES
O[C@@H]1[C@H](CC2)N2C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H10NO/c7-5-3-6-2-1-4(5)6/h4-7H,1-3H2/t4-,5-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
NODGYGGYPKNLHR-WHFBIAKZSA-N