Cas no 61784-44-9 (2-Butenedioic acid, 2-(bromomethyl)-, dimethyl ester)
61784-44-9 structure
Product Name:2-Butenedioic acid, 2-(bromomethyl)-, dimethyl ester
CAS No:61784-44-9
MF:C7H9BrO4
MW:237.047961950302
CID:466263
PubChem ID:54512079
Update Time:2025-04-19
2-Butenedioic acid, 2-(bromomethyl)-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenedioic acid, 2-(bromomethyl)-, dimethyl ester
- dimethyl 2-(bromomethyl)but-2-enedioate
- 61784-44-9
- DTXSID00711866
-
- Inchi： 1S/C7H9BrO4/c1-11-6(9)3-5(4-8)7(10)12-2/h3H,4H2,1-2H3
- InChI Key： YJVJKHGQCFLAEB-UHFFFAOYSA-N
- SMILES： BrCC(C(=O)OC)=CC(=O)OC
Computed Properties
- Exact Mass: 235.96837
- Monoisotopic Mass: 235.96842g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 210
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 0.8
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
2-Butenedioic acid, 2-(bromomethyl)-, dimethyl ester Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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