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4-phenacylbenzonitrile

4-phenacylbenzonitrile structure

CAS No:
59824-23-6
Formula:
C15H11NO
Chemical Name:
4-phenacylbenzonitrile
Synonyms:
4-cyanodeoxybenzoin; p-cyanobenzyl phenyl ketone;

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4-phenacylbenzonitrile Basic Attributes

Molecular Weight：

221.25400

Exact Mass：

221.084063974 g/mol

NSC Number：

103099

DSSTox ID：

DTXSID90295564

Characteristics

PSA：

40.86000

XLogP3：

2.98368

Density：

1.16g/cm3

Boiling Point：

396.3ºC at 760 mmHg

Flash Point：

193.5ºC

Refractive Index：

1.604

Computed Properties

Molecular Weight:221.25
XLogP3:2.9
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 4-phenacylbenzonitrile

Basic Attributes
Characteristics
Computed Properties

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