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5-(4-Fluorobenzyl)-2,2-diMethyl-1,3dioxane-4,6-dione

5-(4-Fluorobenzyl)-2,2-diMethyl-1,3dioxane-4,6-dione structure

CAS No:
876405-68-4
Formula:
C13H13FO4
Chemical Name:
5-(4-Fluorobenzyl)-2,2-diMethyl-1,3dioxane-4,6-dione
Synonyms:
5-(4-Fluorobenzyl)-2,2-diMethyl-1,3dioxane-4,6-dione;1,3-Dioxane-4,6-dione, 5-[(4-fluorophenyl)methyl]-2,2-dimethyl-

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5-(4-Fluorobenzyl)-2,2-diMethyl-1,3dioxane-4,6-dione Basic Attributes

Molecular Weight：

252.24

Exact Mass：

252.08

Characteristics

PSA：

52.6

XLogP3：

1.8205

Density：

1.245±0.06 g/cm3

Melting Point：

107-110 °C(Solv: ethyl acetate (141-78-6))

Boiling Point：

449.5±35.0 °C(Predicted)

PKA：

12.44±0.40

Computed Properties

Molecular Weight:252.24
XLogP3:2.7
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:252.07978705
Monoisotopic Mass:252.07978705
Topological Polar Surface Area:52.6
Heavy Atom Count:18
Complexity:325
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(4-Fluorobenzyl)-2,2-diMethyl-1,3dioxane-4,6-dione

Basic Attributes
Characteristics
Computed Properties

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