Cas no 760976-11-2 ([1,1'-BIPHENYL]-4-ACETONITRILE, 3',5'-DIMETHYL-)
![[1,1'-BIPHENYL]-4-ACETONITRILE, 3',5'-DIMETHYL- structure](https://ossimg.kuujia.com/scimg/761000/760976-11-2x500.png)
760976-11-2 structure
Product Name:[1,1'-BIPHENYL]-4-ACETONITRILE, 3',5'-DIMETHYL-
CAS No:760976-11-2
MF:C16H15N
MW:221.297003984451
CID:3171112
PubChem ID:82080084
Update Time:2025-04-21
[1,1'-BIPHENYL]-4-ACETONITRILE, 3',5'-DIMETHYL- Chemical and Physical Properties
Names and Identifiers
-
- [1,1'-BIPHENYL]-4-ACETONITRILE, 3',5'-DIMETHYL-
- 3a(2),5a(2)-Dimethyl[1,1a(2)-biphenyl]-4-acetonitrile
- SCHEMBL17625196
- 760976-11-2
- DTXSID301255530
-
- Inchi： 1S/C16H15N/c1-12-9-13(2)11-16(10-12)15-5-3-14(4-6-15)7-8-17/h3-6,9-11H,7H2,1-2H3
- InChI Key： GUZUGSZOSUUFLP-UHFFFAOYSA-N
- SMILES： N#CCC1C=CC(=CC=1)C1C=C(C)C=C(C)C=1
Computed Properties
- Exact Mass: 221.120449483Da
- Monoisotopic Mass: 221.120449483Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 269
- 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: 3.9
- Topological Polar Surface Area: 23.8?2
[1,1'-BIPHENYL]-4-ACETONITRILE, 3',5'-DIMETHYL- Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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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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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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