Cas no 84975-52-0 (4,6-heptadecadiynoic acid)
4,6-heptadecadiynoic acid structure
Product Name:4,6-heptadecadiynoic acid
CAS No:84975-52-0
MF:C17H26O2
MW:262.387145519257
CID:887886
PubChem ID:22556221
Update Time:2025-04-19
4,6-heptadecadiynoic acid Chemical and Physical Properties
Names and Identifiers
-
- 4,6-heptadecadiynoic acid
- heptadeca-4,6-diynoic acid
- 4,6-HEPTADECADIYNOIC
- SCHEMBL417123
- DTXSID20626408
- 84975-52-0
-
- Inchi： 1S/C17H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-10,15-16H2,1H3,(H,18,19)
- InChI Key： RGDYQXRADMTROD-UHFFFAOYSA-N
- SMILES： OC(CCC#CC#CCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 262.19300
- Monoisotopic Mass: 262.193280068g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 10
- Complexity: 356
- 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: 6
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.30000
- LogP: 4.38880
4,6-heptadecadiynoic acid Related Literature
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Nduka Ikpo,Jenna C. Flogeras,Francesca M. Kerton Dalton Trans., 2013,42, 8998-9006
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
84975-52-0 (4,6-heptadecadiynoic acid) Related Products
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- 178560-65-1(5,7-Docosadiynoic acid)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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