Cas no 6306-30-5 (3-phenylhexan-2-one)
3-phenylhexan-2-one structure
Product Name:3-phenylhexan-2-one
3-phenylhexan-2-one Chemical and Physical Properties
Names and Identifiers
-
- 3-phenylhexan-2-one
- (+-)-3-Phenyl-hexan-2-on
- (+-)-3-phenyl-hexan-2-one
- 2-Oxo-3-phenyl-hexan
- 3-phenyl-2-hexanone
- 3-Phenyl-hexan-2-on
- 3-phenyl-hexan-2-one
- AC1Q5C3V
- AR-1F5032
- CTK2F9043
- NSC22980
- NSC 22980
- DTXSID10281767
- 6306-30-5
- SCHEMBL13385031
- NSC-22980
- AKOS014315819
-
- Inchi： 1S/C12H16O/c1-3-7-12(10(2)13)11-8-5-4-6-9-11/h4-6,8-9,12H,3,7H2,1-2H3
- InChI Key： LQEVOFWEUZODAF-UHFFFAOYSA-N
- SMILES： O=C(C)C(C1C=CC=CC=1)CCC
Computed Properties
- Exact Mass: 176.12018
- Monoisotopic Mass: 176.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 157
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
3-phenylhexan-2-one Related Literature
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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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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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
6306-30-5 (3-phenylhexan-2-one) Related Products
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- 1444-65-1(2-phenylcyclohexan-1-one)
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- 2893-05-2(1-Phenyl-3-methyl-2-butanone)
- 5349-62-2(4-Methyl-1-phenyl-2-pentanone)
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