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3-(2,5-dimethylphenyl)-3-oxopropanenitrile

3-(2,5-dimethylphenyl)-3-oxopropanenitrile structure

CAS No:
53882-93-2
Formula:
C11H11NO
Chemical Name:
3-(2,5-dimethylphenyl)-3-oxopropanenitrile
Synonyms:
2,5-DIMETHYLBENZOYLACETONITRILE; 2-cyano-2',5'-dimethylacetophenone; Benzenepropanenitrile,2,5-dimethyl-b-oxo; 2,4-DIMETHYLPHENYLBORONIC ACID;

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3-(2,5-dimethylphenyl)-3-oxopropanenitrile Basic Attributes

Molecular Weight：

173.21100

Exact Mass：

173.084063974

DSSTox ID：

DTXSID80579209

HScode：

2926909090

Characteristics

PSA：

40.86000

XLogP3：

2.39978

Density：

1.06g/cm3

Boiling Point：

337ºC

Flash Point：

153.8ºC

Refractive Index：

1.53

Computed Properties

Molecular Weight:173.21
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:173.084063974
Monoisotopic Mass:173.084063974
Topological Polar Surface Area:40.9
Heavy Atom Count:13
Complexity:238
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(2,5-dimethylphenyl)-3-oxopropanenitrile

Basic Attributes
Characteristics
Computed Properties

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