Cas no 88798-35-0 (3-Isoxazolecarboxylic acid, 5-tridecyl-, ethyl ester)
88798-35-0 structure
Product Name:3-Isoxazolecarboxylic acid, 5-tridecyl-, ethyl ester
CAS No:88798-35-0
MF:C19H33NO3
MW:323.470226049423
CID:1936152
PubChem ID:13169319
Update Time:2025-04-21
3-Isoxazolecarboxylic acid, 5-tridecyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Isoxazolecarboxylic acid, 5-tridecyl-, ethyl ester
- ethyl 5-tridecyl-1,2-oxazole-3-carboxylate
- DTXSID70524405
- 88798-35-0
- Ethyl 5-tridecylisoxazole-3-carboxylate
- SCHEMBL11133950
-
- Inchi： 1S/C19H33NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-16-18(20-23-17)19(21)22-4-2/h16H,3-15H2,1-2H3
- InChI Key： QZLHDXRWFSSDSJ-UHFFFAOYSA-N
- SMILES： O1C(=CC(C(=O)OCC)=N1)CCCCCCCCCCCCC
Computed Properties
- Exact Mass: 323.24604391Da
- Monoisotopic Mass: 323.24604391Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 15
- Complexity: 296
- 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: 7.5
- Topological Polar Surface Area: 52.3?2
3-Isoxazolecarboxylic acid, 5-tridecyl-, ethyl 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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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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