Cas no 198135-45-4 (5-Methyl-isoxazole-3,4-dicarboxylic acid)
198135-45-4 structure
Product Name:5-Methyl-isoxazole-3,4-dicarboxylic acid
CAS No:198135-45-4
MF:C6H5NO5
MW:171.107601881027
CID:840220
Update Time:2023-08-02
5-Methyl-isoxazole-3,4-dicarboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 3,4-Isoxazoledicarboxylicacid,5-methyl-(9CI)
- 3,4-isoxazole dicarboxylic acid,5-methyl-
- 5-Methyl-3,4-isoxazoledicarboxylic acid
- 5-methyl-isoxazole-3,4-dicarboxylic acid
- 5-Methylisoxazole-3,4-dicarboxylic acid
- 5-Methyl-isoxazole-3,4-dicarboxylic acid
-
- Inchi: 1S/C6H5NO5/c1-2-3(5(8)9)4(6(10)11)7-12-2/h1H3,(H,8,9)(H,10,11)
- InChI Key: UDEVDMXIMWDTJE-UHFFFAOYSA-N
- SMILES: O1C(C)=C(C(=O)O)C(C(=O)O)=N1
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 216
- Topological Polar Surface Area: 101
Experimental Properties
- Melting Point: 182-183 oC
5-Methyl-isoxazole-3,4-dicarboxylic acid Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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