Cas no 61692-26-0 (1,2-Cyclohexanedicarboxylic acid, 4-bromo-5-oxo-, diethyl ester)
61692-26-0 structure
Product Name:1,2-Cyclohexanedicarboxylic acid, 4-bromo-5-oxo-, diethyl ester
CAS No:61692-26-0
MF:C12H17BrO5
MW:321.164383649826
CID:469863
PubChem ID:71393338
Update Time:2025-04-19
1,2-Cyclohexanedicarboxylic acid, 4-bromo-5-oxo-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Cyclohexanedicarboxylic acid, 4-bromo-5-oxo-, diethyl ester
- diethyl 4-bromo-5-oxocyclohexane-1,2-dicarboxylate
- 61692-26-0
- DTXSID90815105
-
- Inchi： 1S/C12H17BrO5/c1-3-17-11(15)7-5-9(13)10(14)6-8(7)12(16)18-4-2/h7-9H,3-6H2,1-2H3
- InChI Key： MGUFDUSFPWBLBX-UHFFFAOYSA-N
- SMILES： BrC1C(CC(C(=O)OCC)C(C(=O)OCC)C1)=O
Computed Properties
- Exact Mass: 320.02591
- Monoisotopic Mass: 320.02594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 6
- Complexity: 341
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 69.7?2
Experimental Properties
- PSA: 69.67
1,2-Cyclohexanedicarboxylic acid, 4-bromo-5-oxo-, diethyl ester Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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4. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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