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January 28, 2026
C5H10N2O2
Datos Químicos de C5H10N2O2
ID
110013
Molecular Scaffold
gKX@@eKcUPC~DDf@
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
CO[C@@H]1[C@@](N)[N]C[C@@H]1O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H12N2O2/c1-9-4-3(8)2-7-5(4)6/h3-5,7-8H,2,6H2,1H3/t3-,4-,5-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
AUSUPBIEQORLSL-YUPRTTJUSA-N