Cas no 5186-09-4 (1-acetyl-1-benzoylcyclopropane)
5186-09-4 structure
Product Name:1-acetyl-1-benzoylcyclopropane
CAS No:5186-09-4
MF:C12H12O2
MW:188.222483634949
CID:936001
PubChem ID:4589697
Update Time:2025-04-19
1-acetyl-1-benzoylcyclopropane Chemical and Physical Properties
Names and Identifiers
-
- 1-acetyl-1-benzoylcyclopropane
- 1-(1-benzoylcyclopropyl)ethanone
- AKOS006241139
- DTXSID60404626
- 5186-09-4
-
- Inchi： 1S/C12H12O2/c1-9(13)12(7-8-12)11(14)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
- InChI Key： CXGABAPZPANLJE-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1)C1(C(C)=O)CC1
Computed Properties
- Exact Mass: 188.083729621g/mol
- Monoisotopic Mass: 188.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 6
- Complexity: 477
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 2
- Topological Polar Surface Area: 86.7
1-acetyl-1-benzoylcyclopropane Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
5186-09-4 (1-acetyl-1-benzoylcyclopropane) 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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