Cas no 53821-20-8 (Undecanoic acid,11-iodo-, ethyl ester)
53821-20-8 structure
Product Name:Undecanoic acid,11-iodo-, ethyl ester
CAS No:53821-20-8
MF:C13H25IO2
MW:340.240876913071
CID:379799
PubChem ID:171303
Update Time:2025-04-19
Undecanoic acid,11-iodo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Undecanoic acid,11-iodo-, ethyl ester
- ethyl 11-iodoundecanoate
- ethyl-11-iodoundecanoate
- Ethyl11-iodoundecanoate
- Undecanoic acid, 11-iodo-, ethyl ester
- SCHEMBL4433264
- DTXSID60202104
- MSUXYGAHHGIEFE-UHFFFAOYSA-N
- 53821-20-8
- 11-Iodo-undecanoic acid ethyl ester
-
- Inchi： 1S/C13H25IO2/c1-2-16-13(15)11-9-7-5-3-4-6-8-10-12-14/h2-12H2,1H3
- InChI Key： MSUXYGAHHGIEFE-UHFFFAOYSA-N
- SMILES： ICCCCCCCCCCC(=O)OCC
Computed Properties
- Exact Mass: 340.08955
- Monoisotopic Mass: 340.08993g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 12
- Complexity: 160
- 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: 5.9
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Undecanoic acid,11-iodo-, ethyl ester Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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