Cas no 344295-37-0 (Ethanone,1-(2,4,6,8-cyclononatetraen-1-yl)-)
344295-37-0 structure
Product Name:Ethanone,1-(2,4,6,8-cyclononatetraen-1-yl)-
CAS No:344295-37-0
MF:C11H12O
MW:160.212383270264
CID:302440
Update Time:2024-01-27
Ethanone,1-(2,4,6,8-cyclononatetraen-1-yl)- Chemical and Physical Properties
Names and Identifiers
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- Ethanone,1-(2,4,6,8-cyclononatetraen-1-yl)-
- Ethanone, 1-(2,4,6,8-cyclononatetraen-1-yl)- (9CI)
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- Inchi： 1S/C11H12O/c1-10(12)11-8-6-4-2-3-5-7-9-11/h2-9,11H,1H3/b4-2-,5-3-,8-6-,9-7-
- InChI Key： MSMOYPOQBHXXEQ-KMHXQRNQSA-N
- SMILES： C(=O)(C1C=CC=CC=CC=C1)C |c:3,5,7,9|
Computed Properties
- Exact Mass: 160.08886
- Monoisotopic Mass: 160.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 245
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 4
- Topological Polar Surface Area: 17.1A^2
Experimental Properties
- PSA: 17.07
Ethanone,1-(2,4,6,8-cyclononatetraen-1-yl)- Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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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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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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