Cas no 83817-52-1 (4-Isoxazolecarboxylicacid, 3-(2-chlorophenyl)-5-methyl-, potassium salt (1:1))
83817-52-1 structure
Product Name:4-Isoxazolecarboxylicacid, 3-(2-chlorophenyl)-5-methyl-, potassium salt (1:1)
CAS No:83817-52-1
MF:C11H7ClKNO3
MW:275.729482889175
CID:728161
PubChem ID:23662484
Update Time:2025-04-19
4-Isoxazolecarboxylicacid, 3-(2-chlorophenyl)-5-methyl-, potassium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 4-Isoxazolecarboxylicacid, 3-(2-chlorophenyl)-5-methyl-, potassium salt (1:1)
- potassium 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate
- potassium,3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
- POTASSIUM 3-(2-CHLOROPHENYL)-5-METHYL-1,2-OXAZOLE-4-CARBOXYLATE
- DTXSID001003887
- 83817-52-1
- NS00091221
- EINECS 280-952-3
-
- Inchi： 1S/C11H8ClNO3.K/c1-6-9(11(14)15)10(13-16-6)7-4-2-3-5-8(7)12;/h2-5H,1H3,(H,14,15);/q;+1/p-1
- InChI Key： PQULLUAJSYUAIT-UHFFFAOYSA-M
- SMILES： [K+].ClC1C=CC=CC=1C1C(C(=O)[O-])=C(C)ON=1
Computed Properties
- Exact Mass: 274.975153
- Monoisotopic Mass: 274.975153
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 279
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 66.2
Experimental Properties
- Boiling Point: 374.5°C at 760 mmHg
- Flash Point: 180.3°C
4-Isoxazolecarboxylicacid, 3-(2-chlorophenyl)-5-methyl-, potassium salt (1:1) Related Literature
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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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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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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