Cas no 61538-75-8 (Ethanone, 1-[4'-(acetyloxy)[1,1'-biphenyl]-4-yl]-)
61538-75-8 structure
Product Name:Ethanone, 1-[4'-(acetyloxy)[1,1'-biphenyl]-4-yl]-
CAS No:61538-75-8
MF:C16H14O3
MW:254.280564785004
CID:475814
PubChem ID:13531045
Update Time:2025-04-19
Ethanone, 1-[4'-(acetyloxy)[1,1'-biphenyl]-4-yl]- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-[4'-(acetyloxy)[1,1'-biphenyl]-4-yl]-
- [4-(4-acetylphenyl)phenyl] acetate
- SCHEMBL9330819
- 4'-Acetyl[1,1'-biphenyl]-4-yl acetate
- 4-acetoxy-4'-acetylbiphenyl
- 4-Acetyloxy-4'-acetylbiphenyl
- GNHSLRMCJVPUAO-UHFFFAOYSA-N
- 61538-75-8
- Acetic acid 4'-acetyl-biphenyl-4-yl ester
- DTXSID20543101
-
- Inchi: 1S/C16H14O3/c1-11(17)13-3-5-14(6-4-13)15-7-9-16(10-8-15)19-12(2)18/h3-10H,1-2H3
- InChI Key: GNHSLRMCJVPUAO-UHFFFAOYSA-N
- SMILES: O(C(C)=O)C1C=CC(=CC=1)C1C=CC(C(C)=O)=CC=1
Computed Properties
- Exact Mass: 254.09432
- Monoisotopic Mass: 254.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 321
- 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: 2.9
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Ethanone, 1-[4'-(acetyloxy)[1,1'-biphenyl]-4-yl]- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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