Cas no 113520-28-8 (2-[3-(2-ethoxy-2-oxoethyl)phenyl]acetate)
![2-[3-(2-ethoxy-2-oxoethyl)phenyl]acetate structure](https://ossimg.kuujia.com/scimg/114000/113520-28-8x500.png)
113520-28-8 structure
Product Name:2-[3-(2-ethoxy-2-oxoethyl)phenyl]acetate
CAS No:113520-28-8
MF:C12H13O4
MW:221.229223966599
CID:2611027
PubChem ID:71337415
Update Time:2025-04-21
2-[3-(2-ethoxy-2-oxoethyl)phenyl]acetate Chemical and Physical Properties
Names and Identifiers
-
- 2-[3-(2-ethoxy-2-oxoethyl)phenyl]acetate
- DA-47800
- DTXSID10765133
- 113520-28-8
- [3-(2-Ethoxy-2-oxoethyl)phenyl]acetate
-
- Inchi： 1S/C12H14O4/c1-2-16-12(15)8-10-5-3-4-9(6-10)7-11(13)14/h3-6H,2,7-8H2,1H3,(H,13,14)/p-1
- InChI Key： BHGFHTPCVUDLDS-UHFFFAOYSA-M
- SMILES： O(CC)C(CC1C=CC=C(CC(=O)[O-])C=1)=O
Computed Properties
- Exact Mass: 221.08138389Da
- Monoisotopic Mass: 221.08138389Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 244
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 66.4?2
2-[3-(2-ethoxy-2-oxoethyl)phenyl]acetate Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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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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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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