Cas no 53034-19-8 (2H-Pyran-2-one, 6-methyl-3-phenyl-)
53034-19-8 structure
Product Name:2H-Pyran-2-one, 6-methyl-3-phenyl-
CAS No:53034-19-8
MF:C12H10O2
MW:186.206603527069
CID:358184
PubChem ID:10976200
Update Time:2025-04-19
2H-Pyran-2-one, 6-methyl-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyran-2-one, 6-methyl-3-phenyl-
- 6-methyl-3-phenylpyran-2-one
- 6-methyl-3-phenyl-2-pyrone
- 53034-19-8
- DTXSID10450416
-
- Inchi： 1S/C12H10O2/c1-9-7-8-11(12(13)14-9)10-5-3-2-4-6-10/h2-8H,1H3
- InChI Key： CTENEEIERHJDGL-UHFFFAOYSA-N
- SMILES： O1C(C(=CC=C1C)C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 186.0681
- Monoisotopic Mass: 186.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 293
- 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: 2.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
2H-Pyran-2-one, 6-methyl-3-phenyl- Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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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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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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