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January 28, 2026
C6H10O3
Datos Químicos de C6H10O3
ID
92092
Molecular Scaffold
dnDH@@ReVDijjjRDd@
Molecular Formula
C6H10O3
Elemental Composition %
C: 31.5789473684211%
H: 52.6315789473684%
O: 15.7894736842105%
N: 0%
Weight
130.142
Programa de Cálculo
G16
SMILES
O[C@H](C[C@@H]1O[C@@H]1C1)[C@H]1O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H10O3/c7-3-1-5-6(9-5)2-4(3)8/h3-8H,1-2H2/t3-,4+,5+,6-
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
CFVCNTOJVXBKFY-GUCUJZIJSA-N