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1-[4-(2-Phenylethynyl)phenyl]ethanone

1-[4-(2-Phenylethynyl)phenyl]ethanone structure

CAS No:
1942-31-0
Formula:
C16H12O
Chemical Name:
1-[4-(2-Phenylethynyl)phenyl]ethanone
Synonyms:
Ethanone,1-[4-(2-phenylethynyl)phenyl]-;Acetophenone,4′-(phenylethynyl)-;Ethanone,1-[4-(phenylethynyl)phenyl]-;1-[4-(2-Phenylethynyl)phenyl]ethanone;4-(2-Phenylethynyl)acetophenone;1-[4-(Phenylethynyl)phenyl]ethanone;4-Acetyltolane;1-Acetyl-4-(phenylethynyl)benzene;4′-(Phenylethynyl)acetophenone;4-(Phenylethynyl)acetophenone;4-Acetylphenyl(phenyl)acetylene;1-(4-Acetylphenyl)-2-phenylethyne;p-Acetyldiphenylacetylene;1-(4-Acetylphenyl)-2-phenylacetylene;1-[4-(Phenylethynyl)phenyl]ethan-1-one;1-[4-(2-Phenyleth-1-ynyl)phenyl]ethan-1-one

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1-[4-(2-Phenylethynyl)phenyl]ethanone Basic Attributes

Molecular Weight：

220.26600

Exact Mass：

220.27

DSSTox ID：

DTXSID00381381

HScode：

2914399090

Characteristics

PSA：

17.07000

XLogP3：

3.28900

Density：

1.12g/cm3

Melting Point：

98-99 °C

Boiling Point：

377.2ºC

Flash Point：

165.3ºC

Refractive Index：

1.611

Vapor Pressure：

6.84E-06mmHg at 25°C

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26; S36/37/39

Computed Properties

Molecular Weight:220.26
XLogP3:3.6
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:220.088815002
Monoisotopic Mass:220.088815002
Topological Polar Surface Area:17.1
Heavy Atom Count:17
Complexity:316
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[4-(2-Phenylethynyl)phenyl]ethanone

Basic Attributes
Characteristics
Safety Information
Computed Properties

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