Cas no 61667-75-2 (Ethanone, 1-(5-benzoyl-2-methyl-3-furanyl)-)
61667-75-2 structure
Product Name:Ethanone, 1-(5-benzoyl-2-methyl-3-furanyl)-
CAS No:61667-75-2
MF:C14H12O3
MW:228.243284225464
CID:470789
PubChem ID:12334454
Update Time:2025-04-19
Ethanone, 1-(5-benzoyl-2-methyl-3-furanyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-(5-benzoyl-2-methyl-3-furanyl)-
- 1-(5-benzoyl-2-methylfuran-3-yl)ethanone
- 61667-75-2
- 1-(5-Benzoyl-2-methylfuran-3-yl)ethan-1-one
- DTXSID50491045
-
- Inchi： 1S/C14H12O3/c1-9(15)12-8-13(17-10(12)2)14(16)11-6-4-3-5-7-11/h3-8H,1-2H3
- InChI Key： PZLLQRADWGBBFM-UHFFFAOYSA-N
- SMILES： O1C(C(C2C=CC=CC=2)=O)=CC(C(C)=O)=C1C
Computed Properties
- Exact Mass: 228.07866
- Monoisotopic Mass: 228.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 305
- 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: 2.7
- Topological Polar Surface Area: 47.3?2
Experimental Properties
- PSA: 47.28
Ethanone, 1-(5-benzoyl-2-methyl-3-furanyl)- Related Literature
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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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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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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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