Cas no 26811-28-9 (Cycloheptatrienylium)
Cycloheptatrienylium structure
Product Name:Cycloheptatrienylium
Cycloheptatrienylium Chemical and Physical Properties
Names and Identifiers
-
- Cycloheptatrienylium
- Cycloheptatrienyl cation
- Tropylium cation
- cyclohepta-2,4,6-trienylium
- DTXSID10411305
- CHEBI:48079
- cyc-C7H7(+)
- 26811-28-9
- tropylium
- UNII-TC2BJ74EPF
- 4118-59-6
- TC2BJ74EPF
-
- Inchi： 1S/C7H7/c1-2-4-6-7-5-3-1/h1-7H/q+1
- InChI Key： OJOSABWCUVCSTQ-UHFFFAOYSA-N
- SMILES： [CH+]1C=CC=CC=C1
Computed Properties
- Exact Mass: 91.05481
- Monoisotopic Mass: 91.0547752233g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 7
- Rotatable Bond Count: 0
- Complexity: 19.7
- 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: 2.6
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Cycloheptatrienylium Related Literature
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Du?an P. Malenov,Sne?ana D. Zari? CrystEngComm 2020 22 3831
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Uyen P. N. Tran,Giulia Oss,Domenic P. Pace,Junming Ho,Thanh V. Nguyen Chem. Sci. 2018 9 5145
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Emilie-Laure Zins,Claude Pepe,Detlef Schr?der Faraday Discuss. 2010 145 157
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4. Stability of heteroazulene-substituted tropylium ions: synthesis and properties of the (2-oxo-2H-cyclohepta[b]thiophen-3-yl)tropylium ion, and its oxygen and nitrogen analoguesShin-ichi Naya,Takeshi Sakakibara,Makoto Nitta J. Chem. Soc. Perkin Trans. 2 2001 1032
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5. Tropylium cation capsule of hydrogen-bonded tetraurea calix[4]arene dimersLimor Frish,Myroslav O. Vysotsky,Susan E. Matthews,Volker B?hmer,Yoram Cohen J. Chem. Soc. Perkin Trans. 2 2002 88
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