Cas no 668971-73-1 (3-Isoxazolecarboxylic acid, 5-[2-[2-(2-ethoxyethoxy)ethoxy]phenyl]-)
![3-Isoxazolecarboxylic acid, 5-[2-[2-(2-ethoxyethoxy)ethoxy]phenyl]- structure](https://ossimg.kuujia.com/scimg/669000/668971-73-1x500.png)
668971-73-1 structure
Product Name:3-Isoxazolecarboxylic acid, 5-[2-[2-(2-ethoxyethoxy)ethoxy]phenyl]-
CAS No:668971-73-1
MF:C16H19NO6
MW:321.32516503334
CID:1713228
Update Time:2024-08-31
3-Isoxazolecarboxylic acid, 5-[2-[2-(2-ethoxyethoxy)ethoxy]phenyl]- Chemical and Physical Properties
Names and Identifiers
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- 3-Isoxazolecarboxylic acid, 5-[2-[2-(2-ethoxyethoxy)ethoxy]phenyl]-
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- Inchi： 1S/C16H19NO6/c1-2-20-7-8-21-9-10-22-14-6-4-3-5-12(14)15-11-13(16(18)19)17-23-15/h3-6,11H,2,7-10H2,1H3,(H,18,19)
- InChI Key： LXYZMPQLVMUSML-UHFFFAOYSA-N
- SMILES： O1C(C2=CC=CC=C2OCCOCCOCC)=CC(C(O)=O)=N1
Computed Properties
- Exact Mass: 321.12127
Experimental Properties
- Density: 1.223±0.06 g/cm3(Predicted)
- Boiling Point: 503.8±50.0 °C(Predicted)
- PSA: 91.02
- pka: 3.32±0.10(Predicted)
3-Isoxazolecarboxylic acid, 5-[2-[2-(2-ethoxyethoxy)ethoxy]phenyl]- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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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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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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