Cas no 61713-68-6 (2-Hexanone, 3-methyl-6-phenyl-)
61713-68-6 structure
Product Name:2-Hexanone, 3-methyl-6-phenyl-
CAS No:61713-68-6
MF:C13H18O
MW:190.281424045563
CID:468854
PubChem ID:59396975
Update Time:2025-04-19
2-Hexanone, 3-methyl-6-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Hexanone, 3-methyl-6-phenyl-
- 3-methyl-6-phenylhexan-2-one
- AKOS010745974
- SCHEMBL13235842
- 61713-68-6
- DTXSID30731850
-
- Inchi： 1S/C13H18O/c1-11(12(2)14)7-6-10-13-8-4-3-5-9-13/h3-5,8-9,11H,6-7,10H2,1-2H3
- InChI Key： NWSNDYXHDTUZBG-UHFFFAOYSA-N
- SMILES： O=C(C)C(C)CCCC1C=CC=CC=1
Computed Properties
- Exact Mass: 190.13584
- Monoisotopic Mass: 190.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 168
- 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: 3.3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2-Hexanone, 3-methyl-6-phenyl- Related Literature
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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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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
61713-68-6 (2-Hexanone, 3-methyl-6-phenyl-) Related Products
- 5910-25-8(3-Phenyl-2,4-pentanedione)
- 946-33-8(2-Benzylcyclohexan-1-one)
- 3506-88-5(3-Benzyl-4-phenylbutan-2-one)
- 1444-65-1(2-phenylcyclohexan-1-one)
- 2550-27-8(3-Methyl-4-phenylbutan-2-one)
- 1134-87-8(3-Benzyl-2,4-pentanedione)
- 38861-78-8(4-Isobutylacetophenone)
- 40463-09-0(4-Methyl-1-phenylpentan-3-one)
- 2893-05-2(1-Phenyl-3-methyl-2-butanone)
- 5349-62-2(4-Methyl-1-phenyl-2-pentanone)
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