Cas no 60787-51-1 (Heptadecanoic acid,3-methyl-)
Heptadecanoic acid,3-methyl- structure
Product Name:Heptadecanoic acid,3-methyl-
CAS No:60787-51-1
MF:C18H36O2
MW:284.477246284485
CID:506385
PubChem ID:173764
Update Time:2025-04-19
Heptadecanoic acid,3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Heptadecanoic acid,3-methyl-
- 3-methylheptadecanoic acid
-
- Inchi： 1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(2)16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)
- InChI Key： WUMIFWUKSVCEOW-UHFFFAOYSA-N
- SMILES： OC(CC(C)CCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 284.27168
- Monoisotopic Mass: 284.271530387g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 15
- Complexity: 214
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 8.1
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 0.8833 (rough estimate)
- Boiling Point: 369.53°C (estimate)
- Refractive Index: 1.4440 (estimate)
- PSA: 37.3
Heptadecanoic acid,3-methyl- 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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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
60787-51-1 (Heptadecanoic acid,3-methyl-) Related Products
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- 626-51-7(3-Methylglutaric acid)
- 97-61-0(2-Methyl-pentanoic Acid)
- 140-77-2(3-Cyclopentylpropionic acid)
- 503-74-2(Isovaleric acid)
- 646-07-1(4-Methylpentanoic acid)
- 1188-02-9(2-Methylheptanoic acid)
- 1460-16-8(Cycloheptanecarboxylic acid)
- 105-43-1(3-methylpentanoic acid)
- 99-66-1(Valproic acid)
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