Cas no 76444-16-1 (3-Bromo-2-oxopentanedioic acid)
76444-16-1 structure
Product Name:3-Bromo-2-oxopentanedioic acid
CAS No:76444-16-1
MF:C5H5BrO5
MW:224.994201421738
CID:982657
Update Time:2023-08-02
3-Bromo-2-oxopentanedioic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-bromo-2-ketoglutarate
- 3-bromo-2-oxopentanedioic acid
- Bromoketoglutarate
- bromoketoglutaric acid
- 3-bromo-2-oxoglutaric acid
- QFGLEMGINFKMPT-UHFFFAOYSA-N
- Pentanedioic acid, 3-bromo-2-oxo-, (+-)-
- 3-Bromo-2-oxopentanedioic acid
-
- Inchi： 1S/C5H5BrO5/c6-2(1-3(7)8)4(9)5(10)11/h2H,1H2,(H,7,8)(H,10,11)
- InChI Key： QFGLEMGINFKMPT-UHFFFAOYSA-N
- SMILES： BrC(C(C(=O)O)=O)CC(=O)O
Computed Properties
- Exact Mass: 223.932
- Monoisotopic Mass: 223.932
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 199
- 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
- Topological Polar Surface Area: 91.7
Experimental Properties
- Density: 2.026
- Boiling Point: 347.1°C at 760 mmHg
- Flash Point: 163.7°C
- Refractive Index: 1.563
3-Bromo-2-oxopentanedioic acid Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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