Cas no 67801-56-3 (dimethyl 5-methyl[1,1'-biphenyl]-2,4'-dicarboxylate)
![dimethyl 5-methyl[1,1'-biphenyl]-2,4'-dicarboxylate structure](https://ossimg.kuujia.com/scimg/68000/67801-56-3x500.png)
67801-56-3 structure
Product Name:dimethyl 5-methyl[1,1'-biphenyl]-2,4'-dicarboxylate
CAS No:67801-56-3
MF:C17H16O4
MW:284.306545257568
CID:967090
PubChem ID:105658
Update Time:2025-04-19
dimethyl 5-methyl[1,1'-biphenyl]-2,4'-dicarboxylate Chemical and Physical Properties
Names and Identifiers
-
- dimethyl 5-methyl[1,1'-biphenyl]-2,4'-dicarboxylate
- (1,1'-Biphenyl)-2,4'-dicarboxylic acid, 5-methyl-, 2,4'-dimethyl ester
- (1,1'-Biphenyl)-2,4'-dicarboxylic acid, 5-methyl-, dimethyl ester
- Dimethyl 5-methyl(1,1'-biphenyl)-2,4'-dicarboxylate
- dimethyl 5-methylbiphenyl-2,4'-dicarboxylate
- NS00036186
- EINECS 267-176-0
- 67801-56-3
- DTXSID8070625
- [1,1'-Biphenyl]-2,4'-dicarboxylic acid, 5-methyl-, dimethyl ester
- WYSSHTHBSQSSNM-UHFFFAOYSA-N
-
- Inchi： 1S/C17H16O4/c1-11-4-9-14(17(19)21-3)15(10-11)12-5-7-13(8-6-12)16(18)20-2/h4-10H,1-3H3
- InChI Key： WYSSHTHBSQSSNM-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=CC(C)=CC=1C1C=CC(C(=O)OC)=CC=1)=O
Computed Properties
- Exact Mass: 284.10488
- Monoisotopic Mass: 284.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 371
- 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: 3.6
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
dimethyl 5-methyl[1,1'-biphenyl]-2,4'-dicarboxylate Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
67801-56-3 (dimethyl 5-methyl[1,1'-biphenyl]-2,4'-dicarboxylate) Related Products
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