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January 28, 2026
C6H10O3
Datos Químicos de C6H10O3
ID
116411
Molecular Scaffold
gOp`@tfUkZj`@
Molecular Formula
C6H10O3
Elemental Composition %
C: 31.5789473684211%
H: 52.6315789473684%
O: 15.7894736842105%
N: 0%
Weight
130.142
Programa de Cálculo
G16
SMILES
CO[C@@H](COCC1)C1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H10O3/c1-8-6-4-9-3-2-5(6)7/h6H,2-4H2,1H3/t6-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
YMJJPBWCARDMCG-LURJTMIESA-N