Cas no 28514-63-8 (4-Ethoxy-3-hydroxy-4-oxobutanoate)
28514-63-8 structure
Product Name:4-Ethoxy-3-hydroxy-4-oxobutanoate
CAS No:28514-63-8
MF:C6H9O5
MW:161.132662534714
CID:2839240
PubChem ID:22292473
Update Time:2025-04-21
4-Ethoxy-3-hydroxy-4-oxobutanoate Chemical and Physical Properties
Names and Identifiers
-
- 4-Ethoxy-3-hydroxy-4-oxobutanoate
- FHHFKGGCXNOIAY-UHFFFAOYSA-M
- 28514-63-8
- DTXSID30624470
-
- Inchi： 1S/C6H10O5/c1-2-11-6(10)4(7)3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)/p-1
- InChI Key： FHHFKGGCXNOIAY-UHFFFAOYSA-M
- SMILES： O(CC)C(C(CC(=O)[O-])O)=O
Computed Properties
- Exact Mass: 161.04499838g/mol
- Monoisotopic Mass: 161.04499838g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 148
- 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: 0
- Topological Polar Surface Area: 86.7?2
4-Ethoxy-3-hydroxy-4-oxobutanoate Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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