Cas no 648882-67-1 ([1,1'-Biphenyl]-4-carboxylic acid, 4'-cyano-2-methyl-, methyl ester)
![[1,1'-Biphenyl]-4-carboxylic acid, 4'-cyano-2-methyl-, methyl ester structure](https://ossimg.kuujia.com/scimg/649000/648882-67-1x500.png)
648882-67-1 structure
Product Name:[1,1'-Biphenyl]-4-carboxylic acid, 4'-cyano-2-methyl-, methyl ester
CAS No:648882-67-1
MF:C16H13NO2
MW:251.279924154282
CID:413530
PubChem ID:69939162
Update Time:2025-04-19
[1,1'-Biphenyl]-4-carboxylic acid, 4'-cyano-2-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- [1,1'-Biphenyl]-4-carboxylic acid, 4'-cyano-2-methyl-, methyl ester
- methyl 4-(4-cyanophenyl)-3-methylbenzoate
- SCHEMBL6924636
- 648882-67-1
- DTXSID60741548
- Methyl 4'-cyano-2-methyl[1,1'-biphenyl]-4-carboxylate
-
- Inchi： 1S/C16H13NO2/c1-11-9-14(16(18)19-2)7-8-15(11)13-5-3-12(10-17)4-6-13/h3-9H,1-2H3
- InChI Key： CSSRVXZHEKQJPC-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=CC(C2C=CC(C#N)=CC=2)=C(C)C=1)=O
Computed Properties
- Exact Mass: 251.094628657g/mol
- Monoisotopic Mass: 251.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 362
- 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: 3.5
- Topological Polar Surface Area: 50.1?2
[1,1'-Biphenyl]-4-carboxylic acid, 4'-cyano-2-methyl-, methyl ester Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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