Cas no 250-25-9 (Pentalene)
Pentalene structure
Product Name:Pentalene
Pentalene Chemical and Physical Properties
Names and Identifiers
-
- Pentalene
- Bicyclo[3.3.0]octane,octadehydro-
- Bicyclo[3.3.0]octatetraene
- Bicyclo(3.3.0)octatetraene
- UNII-E5A3KT7S2A
- Bicyclo(3.3.0)octane, octadehydro-
- DTXSID70420115
- 250-25-9
- CHEBI:33074
- AKOS024437737
- Q3554979
- E5A3KT7S2A
-
- Inchi： 1S/C8H6/c1-3-7-5-2-6-8(7)4-1/h1-6H
- InChI Key： GUVXZFRDPCKWEM-UHFFFAOYSA-N
- SMILES： C12C=CC=C1C=CC=2
Computed Properties
- Exact Mass: 102.04698
- Monoisotopic Mass: 102.0469501914g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 174
- 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: 2
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Pentalene Related Literature
-
Huidong Li,Hao Feng,Weiguo Sun,Yaoming Xie,R. Bruce King,Henry F. Schaefer III New J. Chem. 2011 35 1718
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Gábor London,Margarete von Wantoch Rekowski,Oliver Dumele,W. Bernd Schweizer,Jean-Paul Gisselbrecht,Corinne Boudon,Fran?ois Diederich Chem. Sci. 2014 5 965
-
Cheng Li,Chunming Liu,Yan Li,Xiaozhang Zhu,Zhaohui Wang Chem. Commun. 2015 51 693
-
Dage Sundholm,Raphael J. F. Berger,Heike Fliegl Phys. Chem. Chem. Phys. 2016 18 15934
-
Marija Baranac-Stojanovi?,Milovan Stojanovi? Phys. Chem. Chem. Phys. 2019 21 3250
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