3-(4,7,7-Trimethylbicyclo[4.1.0]hept-3-ylidene)propanenitrile
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![3-(4,7,7-Trimethylbicyclo[4.1.0]hept-3-ylidene)propanenitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/dd2b71ab029a49968cc7da118c3940e7.png "3-(4,7,7-Trimethylbicyclo[4.1.0]hept-3-ylidene)propanenitrile")
3-(4,7,7-Trimethylbicyclo[4.1.0]hept-3-ylidene)propanenitrile
structure -
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CAS No:
68804-02-4
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Formula:
C13H19N
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Chemical Name:
3-(4,7,7-Trimethylbicyclo[4.1.0]hept-3-ylidene)propanenitrile
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Synonyms:
Propanenitrile,3-(4,7,7-trimethylbicyclo[4.1.0]hept-3-ylidene)-;3-(4,7,7-Trimethylbicyclo[4.1.0]hept-3-ylidene)propanenitrile;Sandatrile
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CAS No:
3-(4,7,7-Trimethylbicyclo[4.1.0]hept-3-ylidene)propanenitrile Basic Attributes
189.29700
189.30
272-321-6
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:189.30
XLogP3:2.9
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:189.151749610
Monoisotopic Mass:189.151749610
Topological Polar Surface Area:23.8
Heavy Atom Count:14
Complexity:315
Undefined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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