3-Hydroxyisoxazole-4-carboxylic acid

Base Information

• Chemical Name: 3-Hydroxyisoxazole-4-carboxylic acid
• CAS No.: 178316-78-4
• Molecular Formula: C4H3 N O4
• Molecular Weight: 129.07
• DSSTox Substance ID: DTXSID30332285
• Wikidata: Q27093179
• Metabolomics Workbench ID: 146720
• ChEMBL ID: CHEMBL1232960
• Mol file: 178316-78-4.mol

Synonyms:3-HYDROXYISOXAZOLE-4-CARBOXYLIC ACID;178316-78-4;3-oxo-1,2-oxazole-4-carboxylic acid;3-oxo-2,3-dihydroisoxazole-4-carboxylic acid;4-Isoxazolecarboxylicacid,2,3-dihydro-3-oxo-(9CI);GAG;D09EDP;3-isoxazolol carboxylic acid;SCHEMBL353410;CHEMBL1232960;BDBM23242;DTXSID30332285;1,2(1,5)-Isoxazole, IOA1;AKOS006383552;DB02111;3-hydroxy-1,2-oxazole-4-carboxylic acid;CS-0529274;4-Isoxazolecarboxylic acid, 2,3-dihydro-3-oxo-;3-oxo-2,3-dihydro-1,2-oxazole-4-carboxylic acid;Q27093179

Chemical Property of 3-Hydroxyisoxazole-4-carboxylic acid

Chemical Property:

• PSA: 83.56000
• LogP: 0.07840
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 129.00620758
• Heavy Atom Count: 9
• Complexity: 195

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=O)NO1)C(=O)O
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