Cas no 62585-46-0 (Octanoic acid, 6-(2-cyanoethoxy)hexyl ester)
62585-46-0 structure
Product Name:Octanoic acid, 6-(2-cyanoethoxy)hexyl ester
CAS No:62585-46-0
MF:C17H31NO3
MW:297.432945489883
CID:439085
PubChem ID:71384930
Update Time:2025-04-19
Octanoic acid, 6-(2-cyanoethoxy)hexyl ester Chemical and Physical Properties
Names and Identifiers
-
- Octanoic acid, 6-(2-cyanoethoxy)hexyl ester
- 6-(2-cyanoethoxy)hexyl octanoate
- 62585-46-0
- DTXSID60807178
-
- Inchi： 1S/C17H31NO3/c1-2-3-4-5-8-12-17(19)21-16-10-7-6-9-14-20-15-11-13-18/h2-12,14-16H2,1H3
- InChI Key： WQHZCGHUBXJONR-UHFFFAOYSA-N
- SMILES： O(C(CCCCCCC)=O)CCCCCCOCCC#N
Computed Properties
- Exact Mass: 297.23053
- Monoisotopic Mass: 297.23039385g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 16
- Complexity: 283
- 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: 4.1
- Topological Polar Surface Area: 59.3?2
Experimental Properties
- PSA: 59.32
Octanoic acid, 6-(2-cyanoethoxy)hexyl ester Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
62585-46-0 (Octanoic acid, 6-(2-cyanoethoxy)hexyl ester) Related Products
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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