Cas no 56441-90-8 (Benzeneacetic acid, 4-(2-oxo-2-phenylethoxy)-, ethyl ester)
56441-90-8 structure
Product Name:Benzeneacetic acid, 4-(2-oxo-2-phenylethoxy)-, ethyl ester
CAS No:56441-90-8
MF:C18H18O4
MW:298.333125591278
CID:348851
PubChem ID:23455896
Update Time:2025-04-19
Benzeneacetic acid, 4-(2-oxo-2-phenylethoxy)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, 4-(2-oxo-2-phenylethoxy)-, ethyl ester
- ethyl 2-(4-phenacyloxyphenyl)acetate
- SCHEMBL11604356
- Ethyl [4-(2-oxo-2-phenylethoxy)phenyl]acetate
- 56441-90-8
- DTXSID60634320
-
- Inchi： 1S/C18H18O4/c1-2-21-18(20)12-14-8-10-16(11-9-14)22-13-17(19)15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3
- InChI Key： SHDUPSKQAIVXIO-UHFFFAOYSA-N
- SMILES： O(CC(C1C=CC=CC=1)=O)C1C=CC(=CC=1)CC(=O)OCC
Computed Properties
- Exact Mass: 298.12054
- Monoisotopic Mass: 298.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 8
- Complexity: 352
- 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: 3.5
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Benzeneacetic acid, 4-(2-oxo-2-phenylethoxy)-, ethyl ester Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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