Cas no 62952-03-8 (Acetic acid, ([1,1'-biphenyl]-4-yloxy)-, 4-methylphenyl ester)
![Acetic acid, ([1,1'-biphenyl]-4-yloxy)-, 4-methylphenyl ester structure](https://ossimg.kuujia.com/scimg/63000/62952-03-8x500.png)
62952-03-8 structure
Product Name:Acetic acid, ([1,1'-biphenyl]-4-yloxy)-, 4-methylphenyl ester
CAS No:62952-03-8
MF:C21H18O3
MW:318.365826129913
CID:428346
PubChem ID:23011251
Update Time:2025-04-19
Acetic acid, ([1,1'-biphenyl]-4-yloxy)-, 4-methylphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid, ([1,1'-biphenyl]-4-yloxy)-, 4-methylphenyl ester
- (4-methylphenyl) 2-(4-phenylphenoxy)acetate
- 62952-03-8
- AKOS003501452
- 4-Methylphenyl [([1,1'-biphenyl]-4-yl)oxy]acetate
- DTXSID00629790
-
- Inchi： 1S/C21H18O3/c1-16-7-11-20(12-8-16)24-21(22)15-23-19-13-9-18(10-14-19)17-5-3-2-4-6-17/h2-14H,15H2,1H3
- InChI Key： VPMDQZZKSLYEOG-UHFFFAOYSA-N
- SMILES： O(CC(=O)OC1C=CC(C)=CC=1)C1C=CC(=CC=1)C1C=CC=CC=1
Computed Properties
- Exact Mass: 318.12564
- Monoisotopic Mass: 318.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 6
- Complexity: 373
- 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: 5.4
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
Acetic acid, ([1,1'-biphenyl]-4-yloxy)-, 4-methylphenyl ester Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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