Cas no 123166-89-2 (9,11,13-Octadecatrienoic acid, 18-hydroxy-, (Z,E,E)-)
123166-89-2 structure
Product Name:9,11,13-Octadecatrienoic acid, 18-hydroxy-, (Z,E,E)-
CAS No:123166-89-2
MF:C18H30O3
MW:294.429006099701
CID:1214575
PubChem ID:20980883
Update Time:2025-04-20
9,11,13-Octadecatrienoic acid, 18-hydroxy-, (Z,E,E)- Chemical and Physical Properties
Names and Identifiers
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- 9,11,13-Octadecatrienoic acid, 18-hydroxy-, (Z,E,E)-
- 18-hydroxyoctadeca-9,11,13-trienoic acid
- 123166-89-2
- DTXSID50610133
- 18-hydroxyl-9,11,13-octadecatrienoic acid
-
- Inchi： 1S/C18H30O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-3,5,7,9,19H,4,6,8,10-17H2,(H,20,21)
- InChI Key： YPHQMIRXEFDOQM-UHFFFAOYSA-N
- SMILES： OC(CCCCCCCC=CC=CC=CCCCCO)=O
Computed Properties
- Exact Mass: 294.2196
- Monoisotopic Mass: 294.21949481g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 14
- Complexity: 316
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 3
- XLogP3: 4.8
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53
9,11,13-Octadecatrienoic acid, 18-hydroxy-, (Z,E,E)- Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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4. Agricultural
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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