Cas no 924888-65-3 ((2R)-2-(Ethoxycarbonyl)hexanoate)
924888-65-3 structure
Product Name:(2R)-2-(Ethoxycarbonyl)hexanoate
CAS No:924888-65-3
MF:C9H15O4
MW:187.213003396988
CID:2852610
PubChem ID:57359019
Update Time:2025-04-21
(2R)-2-(Ethoxycarbonyl)hexanoate Chemical and Physical Properties
Names and Identifiers
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- DTXSID00724355
- (2R)-2-(Ethoxycarbonyl)hexanoate
- 924888-65-3
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- Inchi： 1S/C9H16O4/c1-3-5-6-7(8(10)11)9(12)13-4-2/h7H,3-6H2,1-2H3,(H,10,11)/p-1/t7-/m1/s1
- InChI Key： IGGGSAHINVSGTM-SSDOTTSWSA-M
- SMILES： O(CC)C([C@@H](C(=O)[O-])CCCC)=O
Computed Properties
- Exact Mass: 187.09703396Da
- Monoisotopic Mass: 187.09703396Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 171
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 66.4?2
(2R)-2-(Ethoxycarbonyl)hexanoate Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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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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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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