Cas no 52888-69-4 (3-(3-phenoxy-phenyl)-propionic acid ethyl ester)
52888-69-4 structure
Product Name:3-(3-phenoxy-phenyl)-propionic acid ethyl ester
CAS No:52888-69-4
MF:C17H18O3
MW:270.323025226593
CID:937642
PubChem ID:10801984
Update Time:2025-04-19
3-(3-phenoxy-phenyl)-propionic acid ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-(3-phenoxy-phenyl)-propionic acid ethyl ester
- LogP
- DTXSID50445149
- SCHEMBL9167497
- DB-314499
- 52888-69-4
- Ethyl 3-(3-phenoxyphenyl)propanoate
-
- Inchi： 1S/C17H18O3/c1-2-19-17(18)12-11-14-7-6-10-16(13-14)20-15-8-4-3-5-9-15/h3-10,13H,2,11-12H2,1H3
- InChI Key： QXGXEAXQTZMEEP-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1)C1=CC=CC(=C1)CCC(=O)OCC
Computed Properties
- Exact Mass: 270.12564
- Monoisotopic Mass: 270.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 7
- Complexity: 284
- 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: 4.3
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
3-(3-phenoxy-phenyl)-propionic acid ethyl ester Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
52888-69-4 (3-(3-phenoxy-phenyl)-propionic acid ethyl ester) Related Products
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