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4-[3-(2,3-dimethylphenyl)propanoyl]benzonitrile

4-[3-(2,3-dimethylphenyl)propanoyl]benzonitrile structure

CAS No:
898769-17-0
Formula:
C18H17NO
Chemical Name:
4-[3-(2,3-dimethylphenyl)propanoyl]benzonitrile
Synonyms:
4'-CYANO-3-(2,3-DIMETHYLPHENYL)PROPIOPHENONE;

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4-[3-(2,3-dimethylphenyl)propanoyl]benzonitrile Basic Attributes

Molecular Weight：

263.33400

Exact Mass：

263.131014166

DSSTox ID：

DTXSID90644619

HScode：

2926909090

Characteristics

PSA：

40.86000

XLogP3：

3.99058

Density：

1.1g/cm3

Boiling Point：

451.6ºC at 760 mmHg

Flash Point：

226.9ºC

Refractive Index：

1.58

Computed Properties

Molecular Weight:263.3
XLogP3:3.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:263.131014166
Monoisotopic Mass:263.131014166
Topological Polar Surface Area:40.9
Heavy Atom Count:20
Complexity:372
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[3-(2,3-dimethylphenyl)propanoyl]benzonitrile

Basic Attributes
Characteristics
Computed Properties

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