Cas no 77417-07-3 (3-methylnaphthalene-1-carbonitrile)
77417-07-3 structure
Product Name:3-methylnaphthalene-1-carbonitrile
3-methylnaphthalene-1-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-methylnaphthalene-1-carbonitrile
- DTXSID40998634
- DB-083818
- 77417-07-3
- SCHEMBL12316907
- 71235-72-8
- Naphthalene-1-carbonitrile, 3-methyl-
-
- Inchi： 1S/C12H9N/c1-9-6-10-4-2-3-5-12(10)11(7-9)8-13/h2-7H,1H3
- InChI Key： FOSFPMKFTSULBQ-UHFFFAOYSA-N
- SMILES： N#CC1=CC(C)=CC2C=CC=CC=21
Computed Properties
- Exact Mass: 167.07357
- Monoisotopic Mass: 167.073499291g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 225
- 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: 3.3
- Topological Polar Surface Area: 23.8?2
Experimental Properties
- PSA: 23.79
3-methylnaphthalene-1-carbonitrile Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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