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3-[1,1'-biphenyl]-4-yl-3-oxopropanenitrile

3-[1,1'-biphenyl]-4-yl-3-oxopropanenitrile structure

CAS No:
78443-35-3
Formula:
C15H11NO
Chemical Name:
3-[1,1'-biphenyl]-4-yl-3-oxopropanenitrile
Synonyms:
4-PHENYLBENZOYLACETONITRILE;3-[1,1"-biphenyl]-4-yl-3-oxopropanenitrile;3-oxo-3-(4-phenylphenyl)propanenitrile;3-([1,1"-Biphenyl]-4-yl)-3-oxopropanenitrile;3-{[1,1"-biphenyl]-4-yl}-3-oxopropanenitrile;PubChem12036;SCHEMBL3588115;CTK5E5792;DTXSID00506890;KS-000025EY

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3-[1,1'-biphenyl]-4-yl-3-oxopropanenitrile Basic Attributes

Molecular Weight：

221.26

Exact Mass：

221.08400

DSSTox ID：

DTXSID00506890

HScode：

2926909090

Characteristics

PSA：

40.9

XLogP3：

3.44998

Density：

1.128g/cm3

Melting Point：

116-118°

Boiling Point：

418.129ºC at 760 mmHg

Flash Point：

206.677ºC

Refractive Index：

1.582

Safety Information

Hazard category：

IRRITANT

Computed Properties

Molecular Weight:221.25
XLogP3:2.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:221.084063974
Monoisotopic Mass:221.084063974
Topological Polar Surface Area:40.9
Heavy Atom Count:17
Complexity:300
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[1,1'-biphenyl]-4-yl-3-oxopropanenitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-[1,1'-biphenyl]-4-yl-3-oxopropanenitrile

SDS

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