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2-[(3-OXOCYCLOHEXYL)METHYL]BENZONITRILE

2-[(3-OXOCYCLOHEXYL)METHYL]BENZONITRILE structure

CAS No:
898785-05-2
Formula:
C14H15NO
Chemical Name:
2-[(3-OXOCYCLOHEXYL)METHYL]BENZONITRILE

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2-[(3-OXOCYCLOHEXYL)METHYL]BENZONITRILE Basic Attributes

Molecular Weight：

213.27500

Exact Mass：

213.115364102

DSSTox ID：

DTXSID40642362

HScode：

2926909090

Characteristics

PSA：

40.86000

XLogP3：

2.86008

Density：

1.1g/cm3

Boiling Point：

363.8ºC at 760 mmHg

Flash Point：

173.8ºC

Refractive Index：

1.55

Computed Properties

Molecular Weight:213.27
XLogP3:2.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:213.115364102
Monoisotopic Mass:213.115364102
Topological Polar Surface Area:40.9
Heavy Atom Count:16
Complexity:301
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[(3-OXOCYCLOHEXYL)METHYL]BENZONITRILE

Basic Attributes
Characteristics
Computed Properties

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