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January 28, 2026
C5H10NO2
Datos Químicos de C5H10NO2
ID
7602
Molecular Scaffold
eO@Hyj@
Molecular Formula
C5H10NO2
Elemental Composition %
C: 27.7777777777778%
H: 55.5555555555556%
O: 11.1111111111111%
N: 5.55555555555556%
Weight
116.139
Programa de Cálculo
G16
SMILES
C[C@@](C1)([C@@H]1[NH3])C(O)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H10NO2/c1-5(4(7)8)2-3(5)6/h3H,2H2,1,6H3,(H,7,8)/t3-,5+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
IORMTTFCXXRRQI-WVZVXSGGSA-N