Cas no 134541-09-6 (5-(2-Carboxyethyl)isoxazole-4-carboxylic acid)
134541-09-6 structure
Product Name:5-(2-Carboxyethyl)isoxazole-4-carboxylic acid
CAS No:134541-09-6
MF:C7H7NO5
MW:185.134182214737
CID:900217
Update Time:2023-08-02
5-(2-Carboxyethyl)isoxazole-4-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 5-Isoxazolepropanoicacid,4-carboxy-(9CI)
- 5-(2-Carboxyethyl)isoxazole-4-carboxylic acid
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- Inchi： 1S/C7H7NO5/c9-6(10)2-1-5-4(7(11)12)3-8-13-5/h3H,1-2H2,(H,9,10)(H,11,12)
- InChI Key： VBJJACJYAHECFJ-UHFFFAOYSA-N
- SMILES： O1C(=C(C(=O)O)C=N1)CCC(=O)O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 217
- Topological Polar Surface Area: 101
5-(2-Carboxyethyl)isoxazole-4-carboxylic acid Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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