Cas no 17309-05-6 (9,15-Octadecadienoic acid, methyl ester)
17309-05-6 structure
Product Name:9,15-Octadecadienoic acid, methyl ester
CAS No:17309-05-6
MF:C19H34O2
MW:294.472066402435
CID:2658803
PubChem ID:13639290
Update Time:2024-02-27
9,15-Octadecadienoic acid, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- (9Z,15Z)-9,15-Octadecadienoic acid methyl ester
- 9,15-Octadecadienoic acid, methyl ester
- 87WYY32N54
- 9,15-Octadecadienoic acid, methyl ester, (Z,Z)-
- OTROKOXHZSGHEN-PMXBNEBOSA-N
- 9,15-Octadecadienoic acid methyl ester
-
- Inchi： 1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,10-11H,3,6-9,12-18H2,1-2H3/b5-4+,11-10+
- InChI Key： OTROKOXHZSGHEN-PMXBNEBOSA-N
- SMILES： O(C)C(CCCCCCC/C=C/CCCC/C=C/CC)=O
Computed Properties
- Exact Mass: 294.255880323g/mol
- Monoisotopic Mass: 294.255880323g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 15
- Complexity: 279
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3
- XLogP3: 6.7
9,15-Octadecadienoic acid, methyl ester Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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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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