Cas no 58753-28-9 (Cyclohexanone, 3-benzoyl-)
Cyclohexanone, 3-benzoyl- structure
Product Name:Cyclohexanone, 3-benzoyl-
CAS No:58753-28-9
MF:C13H14O2
MW:202.249063968658
CID:2833760
PubChem ID:10867378
Update Time:2025-04-21
Cyclohexanone, 3-benzoyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-benzoyl-cyclohexan-1-one
- Cyclohexanone, 3-benzoyl-
- AKOS015906366
- 58753-28-9
- DTXSID20446426
- SCHEMBL15658130
- DTXCID20397247
- 3-benzoylcyclohexanone
-
- Inchi： 1S/C13H14O2/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2
- InChI Key： VDPUGNNVBTUOEN-UHFFFAOYSA-N
- SMILES： O=C1CCCC(C(C2C=CC=CC=2)=O)C1
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: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 34.1?2
Cyclohexanone, 3-benzoyl- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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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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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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