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5,5-dimethyl-2-phenacylcyclohexane-1,3-dione

5,5-dimethyl-2-phenacylcyclohexane-1,3-dione structure

CAS No:
37456-51-2
Formula:
C16H18O3
Chemical Name:
5,5-dimethyl-2-phenacylcyclohexane-1,3-dione
Synonyms:
5,5-dimethyl-2-phenacyl-cyclohexane-1,3-dione keto form; BB_SC-5484; 2-<2'-phenyl-2'-oxoethyl>-5,5-dimethyl-1,3-cyclohexanedione; 5,5-dimethyl-2-(2-oxo-2-phenyl-ethyl)-cyclohexane-1,3-dione; 5,5-dimethyl-2-phenacyl-cyclohexane-1,3-dione enol,form; 2-(2-oxo-2-phenylethyl)-5,5-dimethyl-1,3-cyclohexanedione;Expand

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5,5-dimethyl-2-phenacylcyclohexane-1,3-dione Basic Attributes

Molecular Weight：

258.31200

Exact Mass：

258.125594432

DSSTox ID：

DTXSID10401807

HScode：

2914399090

Characteristics

PSA：

51.21000

XLogP3：

2.83380

Density：

1.099g/cm3

Boiling Point：

414.9ºC

Flash Point：

178.9ºC

Refractive Index：

1.521

Computed Properties

Molecular Weight:258.31
XLogP3:2.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:258.125594432
Monoisotopic Mass:258.125594432
Topological Polar Surface Area:51.2
Heavy Atom Count:19
Complexity:369
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5,5-dimethyl-2-phenacylcyclohexane-1,3-dione

Basic Attributes
Characteristics
Computed Properties

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