Cas no 668971-86-6 (3-Isoxazolecarboxylic acid, 5-[2-(2-propenyloxy)phenyl]-)
![3-Isoxazolecarboxylic acid, 5-[2-(2-propenyloxy)phenyl]- structure](https://ossimg.kuujia.com/scimg/669000/668971-86-6x500.png)
668971-86-6 structure
Product Name:3-Isoxazolecarboxylic acid, 5-[2-(2-propenyloxy)phenyl]-
CAS No:668971-86-6
MF:C13H11NO4
MW:245.230743646622
CID:1713333
Update Time:2024-08-31
3-Isoxazolecarboxylic acid, 5-[2-(2-propenyloxy)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 3-Isoxazolecarboxylic acid, 5-[2-(2-propenyloxy)phenyl]-
- 3-Isoxazolecarboxylic acid, 5-[2-(2-propen-1-yloxy)phenyl]-
-
- Inchi： 1S/C13H11NO4/c1-2-7-17-11-6-4-3-5-9(11)12-8-10(13(15)16)14-18-12/h2-6,8H,1,7H2,(H,15,16)
- InChI Key： OFRCNIUXSDHLCO-UHFFFAOYSA-N
- SMILES： O1C(C2=CC=CC=C2OCC=C)=CC(C(O)=O)=N1
Computed Properties
- Exact Mass: 245.06883
Experimental Properties
- Density: 1?+-.0.06 g/cm3(Predicted)
- Boiling Point: 441.3±40.0 °C(Predicted)
- PSA: 72.56
- pka: 3.32±0.10(Predicted)
3-Isoxazolecarboxylic acid, 5-[2-(2-propenyloxy)phenyl]- Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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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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