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1-(2,5-Dimethylphenyl)-3,3-dimethyl-1-butanone

1-(2,5-Dimethylphenyl)-3,3-dimethyl-1-butanone structure

CAS No:
898764-50-6
Formula:
C14H20O
Chemical Name:
1-(2,5-Dimethylphenyl)-3,3-dimethyl-1-butanone
Synonyms:
1-Butanone,1-(2,5-dimethylphenyl)-3,3-dimethyl-;1-(2,5-Dimethylphenyl)-3,3-dimethyl-1-butanone

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1-(2,5-Dimethylphenyl)-3,3-dimethyl-1-butanone Basic Attributes

Molecular Weight：

204.30800

Exact Mass：

204.31

DSSTox ID：

DTXSID90642392

HScode：

2914399090

Characteristics

PSA：

17.07000

XLogP3：

3.92230

Density：

0.93g/cm3

Boiling Point：

297ºC

Flash Point：

118.1ºC

Refractive Index：

1.498

Computed Properties

Molecular Weight:204.31
XLogP3:4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:204.151415257
Monoisotopic Mass:204.151415257
Topological Polar Surface Area:17.1
Heavy Atom Count:15
Complexity:224
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(2,5-Dimethylphenyl)-3,3-dimethyl-1-butanone

Basic Attributes
Characteristics
Computed Properties

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