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4-phenyloxane-4-carbonitrile

4-phenyloxane-4-carbonitrile structure

CAS No:
1202-81-9
Formula:
C12H13NO
Chemical Name:
4-phenyloxane-4-carbonitrile
Synonyms:
4-phenyl-tetrahydro-pyran-4-carbonitrile; 4-phenyltetrahydro-2H-pyran-4-carbonitrile; 4-Cyano-4-phenyl-tetrahydro-pyran; 4-Phenyl-4-cyan-tetrahydropyran; 4-Phenyl-tetrahydro-pyran-4-carbonitril; 4-Phenyl-4-cyanotetrahydropyran;Expand

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4-phenyloxane-4-carbonitrile Basic Attributes

Molecular Weight：

187.23800

Exact Mass：

187.099714038 g/mol

NSC Number：

10064

DSSTox ID：

DTXSID20152732

HScode：

2932999099

Characteristics

PSA：

33.02000

XLogP3：

2.25838

Density：

1.09g/cm3

Boiling Point：

339.6ºC at 760 mmHg

Flash Point：

143.3ºC

Refractive Index：

1.548

Vapor Pressure：

9.09E-05mmHg at 25°C

Safety Information

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:187.24
XLogP3:1.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:187.099714038
Monoisotopic Mass:187.099714038
Topological Polar Surface Area:33
Heavy Atom Count:14
Complexity:228
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-phenyloxane-4-carbonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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