Cas no 80706-71-4 (Cyclobutanone, 2-benzoyl-2-methyl-)
80706-71-4 structure
Product Name:Cyclobutanone, 2-benzoyl-2-methyl-
CAS No:80706-71-4
MF:C12H12O2
MW:188.222483634949
CID:705173
PubChem ID:12739837
Update Time:2025-04-19
Cyclobutanone, 2-benzoyl-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Cyclobutanone, 2-benzoyl-2-methyl-
- 2-benzoyl-2-methylcyclobutan-1-one
- DTXSID50508607
- 80706-71-4
-
- Inchi： 1S/C12H12O2/c1-12(8-7-10(12)13)11(14)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
- InChI Key： PVOKIGOALOAKKH-UHFFFAOYSA-N
- SMILES： O=C1CCC1(C(C1C=CC=CC=1)=O)C
Computed Properties
- Exact Mass: 188.083729621g/mol
- Monoisotopic Mass: 188.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 264
- 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: 2
- Topological Polar Surface Area: 34.1?2
Cyclobutanone, 2-benzoyl-2-methyl- Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
80706-71-4 (Cyclobutanone, 2-benzoyl-2-methyl-) Related Products
- 712-50-5(cyclohexyl(phenyl)methanone)
- 3481-02-5(Cyclopropyl phenyl ketone)
- 938-16-9(2,2-Dimethylpropiophenone)
- 5407-98-7(Cyclobutyl phenyl ketone)
- 5422-88-8(Cyclopentyl phenyl ketone)
- 1671-77-8(4’-Methylvalerophenone)
- 38675-79-5(4-tert-butylphenyl cyclopropyl ketone)
- 37593-03-6(4'-Heptylacetophenone)
- 37593-05-8(4-n-Nonylacetophenone)
- 16819-79-7(2-Methyl-1-phenylbutan-1-one)
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