Cas no 295346-65-5 (methyl 2'-cyanobiphenyl-2-carboxylate)
295346-65-5 structure
Product Name:methyl 2'-cyanobiphenyl-2-carboxylate
CAS No:295346-65-5
MF:C15H11NO2
MW:237.253343820572
CID:1439150
PubChem ID:1392503
Update Time:2025-04-20
methyl 2'-cyanobiphenyl-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- methyl 2'-cyanobiphenyl-2-carboxylate
- [1,1'-biphenyl]-2-carboxylic acid, 2'-cyano-, methyl ester
- [1,1'-biphenyl]-2-carboxylic acid, 2'-cyano-, methyl ester; Methyl 2'-cyanobiphenyl-2-carboxylate
- Methyl 2a(2)-cyano[1,1a(2)-biphenyl]-2-carboxylate
- 295346-65-5
- DTXSID701255675
- Methyl 2-(2-cyanophenyl)benzoate
-
- Inchi： 1S/C15H11NO2/c1-18-15(17)14-9-5-4-8-13(14)12-7-3-2-6-11(12)10-16/h2-9H,1H3
- InChI Key： QDEHABLRPACVMH-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=CC=CC=1C1C=CC=CC=1C#N)=O
Computed Properties
- Exact Mass: 237.07903
- Monoisotopic Mass: 237.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 344
- 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: 3.1
- Topological Polar Surface Area: 50.1?2
Experimental Properties
- PSA: 50.09
methyl 2'-cyanobiphenyl-2-carboxylate Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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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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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
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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