Cas no 57267-52-4 (Nonanoic acid, 9-iodo-,ethyl ester)
57267-52-4 structure
Product Name:Nonanoic acid, 9-iodo-,ethyl ester
CAS No:57267-52-4
MF:C11H21IO2
MW:312.187716245651
CID:369268
PubChem ID:171576
Update Time:2025-04-19
Nonanoic acid, 9-iodo-,ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Nonanoic acid, 9-iodo-,ethyl ester
- ethyl 9-iodononanoate
- ethyl-9-iodononate
- DTXSID40205890
- Nonanoic acid, 9-iodo-, ethyl ester
- 57267-52-4
-
- Inchi： 1S/C11H21IO2/c1-2-14-11(13)9-7-5-3-4-6-8-10-12/h2-10H2,1H3
- InChI Key： LDGWCSBOBWFGKV-UHFFFAOYSA-N
- SMILES： ICCCCCCCCC(=O)OCC
Computed Properties
- Exact Mass: 312.05823
- Monoisotopic Mass: 312.05863g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 10
- Complexity: 137
- 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: 4.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Nonanoic acid, 9-iodo-,ethyl ester Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
57267-52-4 (Nonanoic acid, 9-iodo-,ethyl ester) Related Products
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