Cas no 91871-82-8 (Cyclohexanecarboxylic acid, 1-iodoethyl ester)
91871-82-8 structure
Product Name:Cyclohexanecarboxylic acid, 1-iodoethyl ester
CAS No:91871-82-8
MF:C9H15IO2
MW:282.118675470352
CID:1971208
PubChem ID:13592819
Update Time:2025-04-21
Cyclohexanecarboxylic acid, 1-iodoethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxylic acid, 1-iodoethyl ester
- 1-iodoethyl cyclohexanecarboxylate
- 91871-82-8
- TWTBIIVXJUKVNC-UHFFFAOYSA-N
- DTXSID50544565
- SY326352
- SCHEMBL6578779
- MFCD30605479
-
- Inchi： 1S/C9H15IO2/c1-7(10)12-9(11)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
- InChI Key： TWTBIIVXJUKVNC-UHFFFAOYSA-N
- SMILES： IC(C)OC(C1CCCCC1)=O
Computed Properties
- Exact Mass: 282.01168Da
- Monoisotopic Mass: 282.01168Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 153
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.4
- Topological Polar Surface Area: 26.3?2
Cyclohexanecarboxylic acid, 1-iodoethyl ester Related Literature
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Richa Sardessai,Shobhana Krishnaswamy,Mysore S. Shashidhar CrystEngComm, 2012,14, 8010-8016
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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