Cas no 55967-38-9 (4-Isoxazolecarboxylicacid, 5-methyl-3-phenyl-, potassium salt (1:1))
55967-38-9 structure
Product Name:4-Isoxazolecarboxylicacid, 5-methyl-3-phenyl-, potassium salt (1:1)
CAS No:55967-38-9
MF:C11H8KNO3
MW:241.284423828125
CID:376720
PubChem ID:23696800
Update Time:2025-04-19
4-Isoxazolecarboxylicacid, 5-methyl-3-phenyl-, potassium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 4-Isoxazolecarboxylicacid, 5-methyl-3-phenyl-, potassium salt (1:1)
- Potassium 5-methyl-3-phenylisoxazole-4-carboxylate
- potassium,5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
- EINECS 259-922-9
- 55967-38-9
- NS00087602
- DTXSID60204547
- SCHEMBL11781439
-
- Inchi： 1S/C11H9NO3.K/c1-7-9(11(13)14)10(12-15-7)8-5-3-2-4-6-8;/h2-6H,1H3,(H,13,14);/q;+1/p-1
- InChI Key： PHTQEZFERGIZTP-UHFFFAOYSA-M
- SMILES： [K+].O1C(C)=C(C(=O)[O-])C(C2C=CC=CC=2)=N1
Computed Properties
- Exact Mass: 241.01414
- Monoisotopic Mass: 241.01412460g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 243
- 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?2
Experimental Properties
- PSA: 66.16
4-Isoxazolecarboxylicacid, 5-methyl-3-phenyl-, potassium salt (1:1) Related Literature
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Soumaya Khlifi,Gregory Mouille,Jonathan Farjon Anal. Methods, 2017,9, 2328-2333
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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