Cas no 57568-21-5 (8,10-Octadecadienoic acid)
8,10-Octadecadienoic acid structure
Product Name:8,10-Octadecadienoic acid
CAS No:57568-21-5
MF:C18H32O2
MW:280.445486068726
CID:344902
Update Time:2024-01-28
8,10-Octadecadienoic acid Chemical and Physical Properties
Names and Identifiers
-
- 8,10-Octadecadienoic acid
-
- Inchi： 1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8-11H,2-7,12-17H2,1H3,(H,19,20)
- InChI Key： QJKCKUNKNNYJNS-UHFFFAOYSA-N
- SMILES： C(O)(=O)CCCCCCC=CC=CCCCCCCC
Computed Properties
- Exact Mass: 280.24036
- Monoisotopic Mass: 280.24
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 14
- Complexity: 267
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 7.1
- Topological Polar Surface Area: 37.3A^2
Experimental Properties
- Density: 0.911±0.06 g/cm3(Predicted)
- Boiling Point: 413.2±24.0 °C(Predicted)
- PSA: 37.3
- LogP: 5.88450
- pka: 4.78±0.10(Predicted)
8,10-Octadecadienoic acid Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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