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January 28, 2026
C6H10O3
Datos Químicos de C6H10O3
ID
63270
Molecular Scaffold
gKQ@@dsbuP@
Molecular Formula
C6H10O3
Elemental Composition %
C: 31.5789473684211%
H: 52.6315789473684%
O: 15.7894736842105%
N: 0%
Weight
130.142
Programa de Cálculo
G16
SMILES
C[C@@](CC1=O)([C@@]1(C)O)O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H10O3/c1-5(8)3-4(7)6(5,2)9/h8-9H,3H2,1-2H3/t5-,6+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
DVWDRSYDQVJEFQ-RITPCOANSA-N