Cas no 52999-76-5 (2,4-Heptadienoic acid, 6-oxo-, (E,E)-)
52999-76-5 structure
Product Name:2,4-Heptadienoic acid, 6-oxo-, (E,E)-
CAS No:52999-76-5
MF:C7H8O3
MW:140.136622428894
CID:358278
Update Time:2024-03-02
2,4-Heptadienoic acid, 6-oxo-, (E,E)- Chemical and Physical Properties
Names and Identifiers
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- 2,4-Heptadienoic acid, 6-oxo-, (E,E)-
- 6-oxohepta-2,4-dienoic acid
- 2,4-Heptadienoic acid, 6-oxo-, (2E,4E)-
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- Inchi： 1S/C7H8O3/c1-6(8)4-2-3-5-7(9)10/h2-5H,1H3,(H,9,10)/b4-2+,5-3+
- InChI Key： RFRRXWCZGSHOQK-ZUVMSYQZSA-N
- SMILES： C(O)(=O)/C=C/C=C/C(=O)C
Computed Properties
- Exact Mass: 140.04734
Experimental Properties
- Density: 1.138±0.06 g/cm3(Predicted)
- Boiling Point: 309.4±25.0 °C(Predicted)
- PSA: 54.37
- pka: 4.23±0.10(Predicted)
2,4-Heptadienoic acid, 6-oxo-, (E,E)- Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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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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