Cas no 765940-53-2 (Cyclohexanone,3,3-dimethyl-4-phenyl-)
765940-53-2 structure
Product Name:Cyclohexanone,3,3-dimethyl-4-phenyl-
CAS No:765940-53-2
MF:C14H18O
MW:202.292124271393
CID:550734
Update Time:2024-02-05
Cyclohexanone,3,3-dimethyl-4-phenyl- Chemical and Physical Properties
Names and Identifiers
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- Cyclohexanone,3,3-dimethyl-4-phenyl-
- 3,3-Dimethyl-4-phenylcyclohexanone
- Cyclohexanone, 3,3-dimethyl-4-phenyl- (9CI)
- 3,3-dimethyl-4-phenyl-cyclohexanone
- Cyclohexanone, 3,3-dimethyl-4-phenyl-
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- Inchi： 1S/C14H18O/c1-14(2)10-12(15)8-9-13(14)11-6-4-3-5-7-11/h3-7,13H,8-10H2,1-2H3
- InChI Key： CGMLOUSLYNMMCC-UHFFFAOYSA-N
- SMILES： C1(=O)CCC(C2=CC=CC=C2)C(C)(C)C1
Computed Properties
- Exact Mass: 202.13584
- Monoisotopic Mass: 202.136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 236
- 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
- Topological Polar Surface Area: 17.1A^2
Experimental Properties
- Density: 0.984±0.06 g/cm3(Predicted)
- Boiling Point: 304.2±31.0 °C(Predicted)
- PSA: 17.07
Cyclohexanone,3,3-dimethyl-4-phenyl- Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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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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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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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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