4-Acetyl-1,3-thiazole-5-carboxylic acid

Base Information

• Chemical Name: 4-Acetyl-1,3-thiazole-5-carboxylic acid
• CAS No.: 114670-88-1
• Molecular Formula: C6H5 N O3 S
• Molecular Weight: 171.1738
• DSSTox Substance ID: DTXSID00601157
• Wikidata: Q82497638
• Mol file: 114670-88-1.mol

Synonyms:4-Acetyl-1,3-thiazole-5-carboxylic acid;114670-88-1;5-Thiazolecarboxylic acid, 4-acetyl- (9CI);SCHEMBL9631804;DTXSID00601157;MWRXTZRLLJTXLM-UHFFFAOYSA-N;4-acetyl-5-thiazolecarboxylic acid

Chemical Property of 4-Acetyl-1,3-thiazole-5-carboxylic acid

Chemical Property:

• PSA: 95.50000
• LogP: 1.04390
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 170.99901420
• Heavy Atom Count: 11
• Complexity: 194

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(SC=N1)C(=O)O

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