Cas no 198135-45-4 (5-Methyl-isoxazole-3,4-dicarboxylic acid)

5-Methyl-isoxazole-3,4-dicarboxylic acid structure
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
Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Senfeida Chemical Co., Ltd
Zouping Mingyuan Import and Export Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Zouping Mingyuan Import and Export Trading Co., Ltd
Shanghai Aoguang Biotechnology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Aoguang Biotechnology Co., Ltd
Nanjing Jubai Biopharm
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing Jubai Biopharm
Henan Dongyan Pharmaceutical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Henan Dongyan Pharmaceutical Co., Ltd