3-Oxo-1,3-dihydro-2,1-benzoxazole-5,7-dicarboxylic acid

Base Information

• Chemical Name: 3-Oxo-1,3-dihydro-2,1-benzoxazole-5,7-dicarboxylic acid
• CAS No.: 62609-91-0
• Molecular Formula: C9H5NO6
• Molecular Weight: 223.13900
• DSSTox Substance ID: DTXSID10539937
• Wikidata: Q82415761

Synonyms:3-oxo-1,3-dihydro-2,1-benzoxazole-5,7-dicarboxylic acid;62609-91-0;SCHEMBL4460286;DTXSID10539937;2,1-Benzisoxazole-5,7-dicarboxylic acid, 1,3-dihydro-3-oxo-;5,7-dicarboxy-2,1-benzisoxazolin-3-one;3-oxo-1H-benzo[c]isoxazole-5,7-dicarboxylic acid;3-oxo-1,3-dihydro-2,1-benzisoxazole-5,7-dicarboxylic acid

Chemical Property of 3-Oxo-1,3-dihydro-2,1-benzoxazole-5,7-dicarboxylic acid

Chemical Property:

• PSA: 120.60000
• LogP: 0.51750
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 223.01168688
• Heavy Atom Count: 16
• Complexity: 354

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C2=C1C(=O)ON2)C(=O)O)C(=O)O

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