Cas no 52055-86-4 (Ethanone, 1-(4-methoxy-5-benzofuranyl)-)
52055-86-4 structure
Product Name:Ethanone, 1-(4-methoxy-5-benzofuranyl)-
CAS No:52055-86-4
MF:C11H10O3
MW:190.195303440094
CID:360775
PubChem ID:10987054
Update Time:2025-04-19
Ethanone, 1-(4-methoxy-5-benzofuranyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-(4-methoxy-5-benzofuranyl)-
- 1-(4-methoxy-1-benzofuran-5-yl)ethanone
- 1-(4-METHOXYBENZOFURAN-5-YL)ETHANONE
- 1-(4-methoxy-1-benzofuran-5-yl)ethan-1-one
- CHEBI:193816
- DTXSID20450841
- 52055-86-4
- 1-(4-methoxy-1-benzouran-5-yl)ethanone
- AKOS006302292
-
- Inchi： 1S/C11H10O3/c1-7(12)8-3-4-10-9(5-6-14-10)11(8)13-2/h3-6H,1-2H3
- InChI Key： HHGHKYQLMIAKNK-UHFFFAOYSA-N
- SMILES： O1C=CC2=C1C=CC(C(C)=O)=C2OC
Computed Properties
- Exact Mass: 190.063
- Monoisotopic Mass: 190.062994177g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 227
- 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
- Topological Polar Surface Area: 39.4?2
Experimental Properties
- PSA: 39.44
Ethanone, 1-(4-methoxy-5-benzofuranyl)- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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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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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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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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