Cas no 223677-02-9 (Ethyl 4-methoxycyclohexane-1-carboxylate)
223677-02-9 structure
Product Name:Ethyl 4-methoxycyclohexane-1-carboxylate
CAS No:223677-02-9
MF:C10H18O3
MW:186.248123645782
CID:2936578
Update Time:2023-08-10
Ethyl 4-methoxycyclohexane-1-carboxylate Chemical and Physical Properties
Names and Identifiers
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- ethyl 4-methoxycyclohexanecarboxylate
- ethyl 4-methoxycyclohexane-1-carboxylate
- Cyclohexanecarboxylic acid, 4-methoxy-, ethyl ester
- Ethyl 4-methoxycyclohexane-1-carboxylate
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- Inchi： 1S/C10H18O3/c1-3-13-10(11)8-4-6-9(12-2)7-5-8/h8-9H,3-7H2,1-2H3
- InChI Key： PFPLBJQGBUCUPK-UHFFFAOYSA-N
- SMILES： O(C)C1CCC(C(=O)OCC)CC1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 160
- XLogP3: 1.6
- Topological Polar Surface Area: 35.5
Ethyl 4-methoxycyclohexane-1-carboxylate Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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