Cas no 76318-58-6 (Butanedioic acid, (acetyloxy)-, 4-ethyl ester, (S)-)
76318-58-6 structure
Product Name:Butanedioic acid, (acetyloxy)-, 4-ethyl ester, (S)-
CAS No:76318-58-6
MF:C8H11O6
MW:203.169343233109
CID:538008
PubChem ID:71403574
Update Time:2025-04-19
Butanedioic acid, (acetyloxy)-, 4-ethyl ester, (S)- Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid, (acetyloxy)-, 4-ethyl ester, (S)-
- (2S)-2-acetyloxy-4-ethoxy-4-oxobutanoate
- 76318-58-6
- DTXSID30824473
- (2S)-2-(Acetyloxy)-4-ethoxy-4-oxobutanoate
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- Inchi： 1S/C8H12O6/c1-3-13-7(10)4-6(8(11)12)14-5(2)9/h6H,3-4H2,1-2H3,(H,11,12)/p-1/t6-/m0/s1
- InChI Key： HHAVCMHPQDURJV-LURJTMIESA-M
- SMILES： O(C(C)=O)[C@H](C(=O)[O-])CC(=O)OCC
Computed Properties
- Exact Mass: 203.05556307g/mol
- Monoisotopic Mass: 203.05556307g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 229
- 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: 0.6
- Topological Polar Surface Area: 92.7?2
Butanedioic acid, (acetyloxy)-, 4-ethyl ester, (S)- Related Literature
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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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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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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
76318-58-6 (Butanedioic acid, (acetyloxy)-, 4-ethyl ester, (S)-) Related Products
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