Cas no 832712-03-5 (Cyclohexanone, 2-benzoyl-, (2S)-)
832712-03-5 structure
Product Name:Cyclohexanone, 2-benzoyl-, (2S)-
CAS No:832712-03-5
MF:C13H14O2
MW:202.249063968658
CID:674849
PubChem ID:704480
Update Time:2025-04-19
Cyclohexanone, 2-benzoyl-, (2S)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanone, 2-benzoyl-, (2S)-
- (R,S)-2-Benzoyl-cyclohexanone
- 832712-03-5
- DTXSID50351599
-
- Inchi： 1S/C13H14O2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2/t11-/m0/s1
- InChI Key： YTVQIZRDLKWECQ-NSHDSACASA-N
- SMILES： O=C1CCCC[C@@H]1C(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 202.099379685g/mol
- Monoisotopic Mass: 202.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 251
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 34.1?2
Cyclohexanone, 2-benzoyl-, (2S)- Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
832712-03-5 (Cyclohexanone, 2-benzoyl-, (2S)-) Related Products
- 712-50-5(cyclohexyl(phenyl)methanone)
- 611-70-1(Isobutyrophenone)
- 3481-02-5(Cyclopropyl phenyl ketone)
- 5407-98-7(Cyclobutyl phenyl ketone)
- 5422-88-8(Cyclopentyl phenyl ketone)
- 1533-20-6(1,3-Diphenyl-1-butanone)
- 16282-16-9(1,2-Diphenylbutan-1-one)
- 13211-01-3(1-1,1'-Biphenyl-4-yl-1-butanone)
- 1671-77-8(4’-Methylvalerophenone)
- 16819-79-7(2-Methyl-1-phenylbutan-1-one)
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