Cas no 28028-84-4 (2,4-Hexadienoic acid, 5-phenyl-, (E,E)-)
28028-84-4 structure
Product Name:2,4-Hexadienoic acid, 5-phenyl-, (E,E)-
CAS No:28028-84-4
MF:C12H12O2
MW:188.222483634949
CID:1433366
Update Time:2024-08-15
2,4-Hexadienoic acid, 5-phenyl-, (E,E)- Chemical and Physical Properties
Names and Identifiers
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- 2,4-Hexadienoic acid, 5-phenyl-, (E,E)-
- 2,4-Hexadienoic acid, 5-phenyl-, (E,E)- (9CI)
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- Inchi： 1S/C12H12O2/c1-10(6-5-9-12(13)14)11-7-3-2-4-8-11/h2-9H,1H3,(H,13,14)/b9-5+,10-6+
- InChI Key： YSNXGRJSSLFOHQ-NXZHAISVSA-N
- SMILES： C(O)(=O)/C=C/C=C(/C1=CC=CC=C1)\C
Computed Properties
- Exact Mass: 188.08376
Experimental Properties
- Density: 1.097±0.06 g/cm3(Predicted)
- Melting Point: 141 °C
- Boiling Point: 352.3±12.0 °C(Predicted)
- PSA: 37.3
- pka: 4.39±0.10(Predicted)
2,4-Hexadienoic acid, 5-phenyl-, (E,E)- Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Xiuxia Yang,Lei Zhao,Zhichao Liu,Shuyu Tian,Hao Zhang,Xuhui Xu,Jianbei Qiu,Xue Yu Phys. Chem. Chem. Phys., 2020,22, 16294-16300
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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