Cas no 28784-91-0 (2-Propenoic acid, 3-(4-pentylphenyl)-)
28784-91-0 structure
Product Name:2-Propenoic acid, 3-(4-pentylphenyl)-
CAS No:28784-91-0
MF:C14H18O2
MW:218.291524410248
CID:1436418
PubChem ID:4030638
Update Time:2025-04-20
2-Propenoic acid, 3-(4-pentylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-(4-pentylphenyl)-
- 3-(4-Pentylphenyl)acrylic acid
- p-Pentylcinnamic acid
- DB-203762
- 3-(4-pentyl-phenyl)-acrylic acid
- 28784-91-0
-
- Inchi： 1S/C14H18O2/c1-2-3-4-5-12-6-8-13(9-7-12)10-11-14(15)16/h6-11H,2-5H2,1H3,(H,15,16)
- InChI Key： LZUMEVGHGKCPJK-UHFFFAOYSA-N
- SMILES： OC(C=CC1C=CC(=CC=1)CCCCC)=O
Computed Properties
- Exact Mass: 218.13074
- Monoisotopic Mass: 218.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 225
- 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: 4.3
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 1.052±0.06 g/cm3 (20 oC 760 Torr),
- Solubility: Almost insoluble (0.05 g/l) (25 o C),
- PSA: 37.3
2-Propenoic acid, 3-(4-pentylphenyl)- Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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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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