Cas no 50987-04-7 (2-methyl-6-phenyl-cyclohexanone)
50987-04-7 structure
Product Name:2-methyl-6-phenyl-cyclohexanone
CAS No:50987-04-7
MF:C13H16O
MW:188.265543937683
CID:934553
PubChem ID:12681980
Update Time:2025-04-19
2-methyl-6-phenyl-cyclohexanone Chemical and Physical Properties
Names and Identifiers
-
- 2-methyl-6-phenyl-cyclohexanone
- 2-methyl-6-phenylcyclohexan-1-one
- LogP
- DTXSID50506749
- 50987-04-7
- AKOS006289830
-
- Inchi： 1S/C13H16O/c1-10-6-5-9-12(13(10)14)11-7-3-2-4-8-11/h2-4,7-8,10,12H,5-6,9H2,1H3
- InChI Key： LAFLVXLMEIBOGU-UHFFFAOYSA-N
- SMILES： O=C1C(C)CCCC1C1C=CC=CC=1
Computed Properties
- Exact Mass: 188.12018
- Monoisotopic Mass: 188.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 203
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2-methyl-6-phenyl-cyclohexanone Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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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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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
50987-04-7 (2-methyl-6-phenyl-cyclohexanone) Related Products
- 34993-51-6((R)-3-Phenyl-cyclohexanone)
- 5910-25-8(3-Phenyl-2,4-pentanedione)
- 4894-75-1(4-phenylcyclohexan-1-one)
- 3506-88-5(3-Benzyl-4-phenylbutan-2-one)
- 493-72-1(5-Phenylcyclohexane-1,3-dione)
- 1444-65-1(2-phenylcyclohexan-1-one)
- 2550-27-8(3-Methyl-4-phenylbutan-2-one)
- 38861-78-8(4-Isobutylacetophenone)
- 2893-05-2(1-Phenyl-3-methyl-2-butanone)
- 5349-62-2(4-Methyl-1-phenyl-2-pentanone)
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