Cas no 101216-59-5 (12,14-Pentacosadiynoicacid)
12,14-Pentacosadiynoicacid structure
Product Name:12,14-Pentacosadiynoicacid
CAS No:101216-59-5
MF:C25H42O2
MW:374.599788188934
CID:124526
PubChem ID:9543642
Update Time:2025-04-18
12,14-Pentacosadiynoicacid Chemical and Physical Properties
Names and Identifiers
-
- 12,14-Pentacosadiynoicacid
- ACMC-20m49c
- AG-D-07659
- CTK0H2387
- TIMTEC-BB SBB009110
- 101216-59-5
- pentacosa-12,14-diynoic acid
- LMFA01030745
- SCHEMBL1540420
- DTXSID90429504
- 12,14-Pentacosadiynoic acid
- CHEBI:165451
-
- Inchi： 1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27/h2-10,15-24H2,1H3,(H,26,27)
- InChI Key： WGUBUTPKAGTFAB-UHFFFAOYSA-N
- SMILES： OC(CCCCCCCCCCC#CC#CCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 374.31866
- Monoisotopic Mass: 374.318480578g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 27
- Rotatable Bond Count: 19
- Complexity: 466
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 9.4
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
12,14-Pentacosadiynoicacid Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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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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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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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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