Cas no 668971-69-5 (3-Isoxazolecarboxylic acid, 5-[2-(1-methylethoxy)phenyl]-)
![3-Isoxazolecarboxylic acid, 5-[2-(1-methylethoxy)phenyl]- structure](https://ossimg.kuujia.com/scimg/669000/668971-69-5x500.png)
668971-69-5 structure
Product Name:3-Isoxazolecarboxylic acid, 5-[2-(1-methylethoxy)phenyl]-
CAS No:668971-69-5
MF:C13H13NO4
MW:247.246623754501
CID:1718954
Update Time:2024-11-27
3-Isoxazolecarboxylic acid, 5-[2-(1-methylethoxy)phenyl]- Chemical and Physical Properties
Names and Identifiers
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- 3-Isoxazolecarboxylic acid, 5-[2-(1-methylethoxy)phenyl]-
-
- Inchi： 1S/C13H13NO4/c1-8(2)17-11-6-4-3-5-9(11)12-7-10(13(15)16)14-18-12/h3-8H,1-2H3,(H,15,16)
- InChI Key： YNXQCIOXXAXZEB-UHFFFAOYSA-N
- SMILES： O1C(C2=CC=CC=C2OC(C)C)=CC(C(O)=O)=N1
Computed Properties
- Exact Mass: 247.08449
Experimental Properties
- Density: 1.232±0.06 g/cm3(Predicted)
- Boiling Point: 422.3±35.0 °C(Predicted)
- PSA: 72.56
- pka: 3.32±0.10(Predicted)
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