Cas no 88593-98-0 (Butanoic acid, 3-oxo-, 3-bromopropyl ester)
88593-98-0 structure
Product Name:Butanoic acid, 3-oxo-, 3-bromopropyl ester
CAS No:88593-98-0
MF:C7H11BrO3
MW:223.064441919327
CID:627641
PubChem ID:13289733
Update Time:2025-04-19
Butanoic acid, 3-oxo-, 3-bromopropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 3-oxo-, 3-bromopropyl ester
- 3-bromopropyl 3-oxobutanoate
- SCHEMBL7362620
- KMOIUTFJKPNORM-UHFFFAOYSA-N
- 88593-98-0
- 3-bromopropyl acetoacetate
- DTXSID90534960
-
- Inchi： 1S/C7H11BrO3/c1-6(9)5-7(10)11-4-2-3-8/h2-5H2,1H3
- InChI Key： KMOIUTFJKPNORM-UHFFFAOYSA-N
- SMILES： BrCCCOC(CC(C)=O)=O
Computed Properties
- Exact Mass: 221.98916g/mol
- Monoisotopic Mass: 221.98916g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 145
- 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
- XLogP3: 1
- Topological Polar Surface Area: 43.4?2
Butanoic acid, 3-oxo-, 3-bromopropyl ester Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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