Cas no 7417-55-2 (Cyclohexanone, 2-ethylidene-, (E)-)
7417-55-2 structure
Product Name:Cyclohexanone, 2-ethylidene-, (E)-
Cyclohexanone, 2-ethylidene-, (E)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanone, 2-ethylidene-, (E)-
- (E)-2-ethylidenecyclohexanone
- AKOS006271462
- Cyclohexanone,2-ethenyl-
- SCHEMBL12124420
- 7417-55-2
- NSC-62022
- ZX5KFY3JFZ
- Cyclohexanone, 2-ethylidene-, (2E)-
- 1122-25-4
- (2E)-2-Ethylidenecyclohexanone
- 2-ethylidenecyclohexan-1-one
- (2E)-2-ethylidenecyclohexan-1-one
- 2-Ethyldenecyclohexanone
- Cyclohexanone, 2-ethylidene-
- 2-Ethylidenecyclohexanone
-
- Inchi： 1S/C8H12O/c1-2-7-5-3-4-6-8(7)9/h2H,3-6H2,1H3/b7-2+
- InChI Key： YPRIHWWNQRSAQL-FARCUNLSSA-N
- SMILES： O=C1/C(=C/C)/CCCC1
Computed Properties
- Exact Mass: 124.08886
- Monoisotopic Mass: 124.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 145
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.7
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Cyclohexanone, 2-ethylidene-, (E)- Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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