Cas no 66709-41-9 (Cyclopentanecarboxylicacid, 3-bromo-1-methyl-2-oxo-, ethyl ester)
66709-41-9 structure
Product Name:Cyclopentanecarboxylicacid, 3-bromo-1-methyl-2-oxo-, ethyl ester
CAS No:66709-41-9
MF:C9H13BrO3
MW:249.101722478867
CID:519942
PubChem ID:274455
Update Time:2025-04-19
Cyclopentanecarboxylicacid, 3-bromo-1-methyl-2-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyclopentanecarboxylicacid, 3-bromo-1-methyl-2-oxo-, ethyl ester
- ethyl 3-bromo-1-methyl-2-oxocyclopentane-1-carboxylate
- 3-Brom-1-methyl-2-oxo-cyclopentancarbonsaeure-aethylester
- 3-bromo-1-methyl-2-oxo-cyclopentanecarboxylic acid ethyl ester
- 5-Brom-2-aethoxycarbonyl-2-methyl-cyclopentan-1-on
- ethyl 3-bromo-1-methyl-2-oxocyclopentanecarboxylate
- NSC-120503
- 66709-41-9
- NSC120503
- DTXSID40298085
-
- Inchi： 1S/C9H13BrO3/c1-3-13-8(12)9(2)5-4-6(10)7(9)11/h6H,3-5H2,1-2H3
- InChI Key： MPCAUOHTARGQIA-UHFFFAOYSA-N
- SMILES： BrC1C(C(C(=O)OCC)(C)CC1)=O
Computed Properties
- Exact Mass: 248.00500
- Monoisotopic Mass: 248.00481g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 239
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37000
- LogP: 1.68220
Cyclopentanecarboxylicacid, 3-bromo-1-methyl-2-oxo-, ethyl ester Related Literature
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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