Cas no 17734-38-2 (Benzenepentanoicacid, ethyl ester)
17734-38-2 structure
Product Name:Benzenepentanoicacid, ethyl ester
CAS No:17734-38-2
MF:C13H18O2
MW:206.280824184418
CID:234947
PubChem ID:234289
Update Time:2025-04-19
Benzenepentanoicacid, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenepentanoicacid, ethyl ester
- 5-Phenylvaleric acid ethyl ester
- ethyl 5-phenylpentanoate
- 5-Phenylpentanoic acid ethyl ester
- SCHEMBL6328999
- Ethyl 5-phenylvalerate
- QCHDRUGIAZBPGB-UHFFFAOYSA-N
- AKOS005067421
- DTXSID60283872
- NSC-33936
- 17734-38-2
- NSC33936
- Benzenepentanoic acid, ethyl ester
- DB-129698
-
- Inchi： 1S/C13H18O2/c1-2-15-13(14)11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3
- InChI Key： QCHDRUGIAZBPGB-UHFFFAOYSA-N
- SMILES： O(CC)C(CCCCC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 206.13074
- Monoisotopic Mass: 206.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 7
- Complexity: 171
- 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: 3.4
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Benzenepentanoicacid, ethyl ester Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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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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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
17734-38-2 (Benzenepentanoicacid, ethyl ester) Related Products
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- 2021-28-5(Ethyl 3-phenylpropionate)
- 20620-59-1(Methyl 5-Phenylpentanoate)
- 103-52-6(Phenethyl butyrate)
- 17071-29-3(ethyl 3-oxo-5-phenylpentanoate)
- 2046-17-5(Methyl 4-Phenylbutyrate)
- 103-25-3(Methyl 3-Phenylpropionate(3-Phenylpropionic Acid Methyl Ester))
- 104750-61-0(Ethyl 3-(o-tolyl)propanoate)
- 2983-36-0(Benzenepropanoic acid, a-ethyl-, ethyl ester)
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