Cas no 7475-68-5 (3-methyl-2,2-diphenylbut-3-enenitrile)
7475-68-5 structure
Product Name:3-methyl-2,2-diphenylbut-3-enenitrile
3-methyl-2,2-diphenylbut-3-enenitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-methyl-2,2-diphenylbut-3-enenitrile
- 3-methyl-2,2-diphenyl-but-3-enenitrile
- 3-Methyl-2,2-diphenyl-but-3-ennitril
- AC1L7ZCE
- NSC400485
- NSC-400485
- DTXSID60322114
- 7475-68-5
-
- Inchi： 1S/C17H15N/c1-14(2)17(13-18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,1H2,2H3
- InChI Key： IMZFNOOQRGGGHG-UHFFFAOYSA-N
- SMILES： N#CC(C(=C)C)(C1C=CC=CC=1)C1C=CC=CC=1
Computed Properties
- Exact Mass: 233.12055
- Monoisotopic Mass: 233.120449483g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 316
- 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: 4.5
- Topological Polar Surface Area: 23.8?2
Experimental Properties
- PSA: 23.79
- LogP: 4.07238
3-methyl-2,2-diphenylbut-3-enenitrile Related Literature
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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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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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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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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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