4-Oxo-1,4-dihydro-2,5-quinolinedicarboxylic acid

Base Information

• Chemical Name: 4-Oxo-1,4-dihydro-2,5-quinolinedicarboxylic acid
• CAS No.: 169831-57-6
• Molecular Formula: C11H7NO5
• DSSTox Substance ID: DTXSID90440779
• Nikkaji Number: J704.108J
• Wikidata: Q82257182
• ChEMBL ID: CHEMBL337121
• Mol file: 169831-57-6.mol

Synonyms:4-Oxo-1,4-dihydro-2,5-quinolinedicarboxylic acid;169831-57-6;SCHEMBL52094;CHEMBL337121;DTXSID90440779;XZHANRREEKRIGX-UHFFFAOYSA-N;1,4-Dihydro-4-oxoquinoline-2,5-dicarboxylic acid

Chemical Property of 4-Oxo-1,4-dihydro-2,5-quinolinedicarboxylic acid

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 233.03242232
• Heavy Atom Count: 17
• Complexity: 414

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C2C(=C1)NC(=CC2=O)C(=O)O)C(=O)O

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