Cas no 109241-60-3 (Octadeca-6,10,12-trienoic Acid)
109241-60-3 structure
Product Name:Octadeca-6,10,12-trienoic Acid
CAS No:109241-60-3
MF:C18H30O2
MW:278.429605960846
CID:1191224
PubChem ID:71334830
Update Time:2025-04-20
Octadeca-6,10,12-trienoic Acid Chemical and Physical Properties
Names and Identifiers
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- Octadeca-6,10,12-trienoic Acid
- DTXSID80762896
- 109241-60-3
-
- Inchi： 1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-9,12-13H,2-5,10-11,14-17H2,1H3,(H,19,20)
- InChI Key： JVXOCQRVBGITPW-UHFFFAOYSA-N
- SMILES： OC(CCCCC=CCCC=CC=CCCCCC)=O
Computed Properties
- Exact Mass: 278.224580195g/mol
- Monoisotopic Mass: 278.224580195g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 13
- Complexity: 301
- 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: 5.9
- Topological Polar Surface Area: 37.3?2
Octadeca-6,10,12-trienoic Acid Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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