Cas no 54977-79-6 (2,4-Tridecadienoic acid, ethyl ester, (E,Z)-)
54977-79-6 structure
Product Name:2,4-Tridecadienoic acid, ethyl ester, (E,Z)-
CAS No:54977-79-6
MF:C15H26O2
MW:238.365745067596
CID:353165
PubChem ID:54049376
Update Time:2025-04-19
2,4-Tridecadienoic acid, ethyl ester, (E,Z)- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Tridecadienoic acid, ethyl ester, (E,Z)-
- ethyl trideca-2,4-dienoate
- DTXSID10708661
- 54977-79-6
-
- Inchi： 1S/C15H26O2/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)17-4-2/h11-14H,3-10H2,1-2H3
- InChI Key： LRUYVETUZUWKIF-UHFFFAOYSA-N
- SMILES： O(CC)C(C=CC=CCCCCCCCC)=O
Computed Properties
- Exact Mass: 238.19338
- Monoisotopic Mass: 238.193280068g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 11
- Complexity: 229
- 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: 5.6
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
2,4-Tridecadienoic acid, ethyl ester, (E,Z)- Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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