Cas no 116377-11-8 (Bicyclo[2.1.0]pentane,2-methylene-)
![Bicyclo[2.1.0]pentane,2-methylene- structure](https://ossimg.kuujia.com/scimg/116500/116377-11-8x500.png)
116377-11-8 structure
Product Name:Bicyclo[2.1.0]pentane,2-methylene-
Bicyclo[2.1.0]pentane,2-methylene- Chemical and Physical Properties
Names and Identifiers
-
- Bicyclo[2.1.0]pentane,2-methylene-
- 1,2,5-Hexatriene
- hexa-1,2,5-triene
- KHQKGRVDIZQGHT-UHFFFAOYSA-N
- 3642-18-0
- 116377-11-8
- 1,2,5-Hexatrien
-
- Inchi： 1S/C6H8/c1-3-5-6-4-2/h3,6H,1-2,5H2
- InChI Key： KHQKGRVDIZQGHT-UHFFFAOYSA-N
- SMILES： C(C=C=C)C=C
Computed Properties
- Exact Mass: 80.06264
- Monoisotopic Mass: 80.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 6
- Rotatable Bond Count: 2
- Complexity: 74
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 0.688g/cm3
- Boiling Point: 73.9oC at 760mmHg
- Flash Point: °C
- Refractive Index: 1.417
- PSA: 0
- LogP: 1.90360
Bicyclo[2.1.0]pentane,2-methylene- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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