2,1-Benzoxazole-4-carboxylic acid

Base Information

• Chemical Name: 2,1-Benzoxazole-4-carboxylic acid
• CAS No.: 716362-22-0
• Molecular Formula: C8H5 N O3
• Molecular Weight: 163.13
• DSSTox Substance ID: DTXSID10698139
• Wikidata: Q82628256
• Mol file: 716362-22-0.mol

Synonyms:716362-22-0;2,1-benzoxazole-4-carboxylic acid;Benzo[c]isoxazole-4-carboxylic acid;SCHEMBL13544371;DTXSID10698139;2,1-BENZISOXAZOLE-4-CARBOXYLIC ACID;FT-0727909

Chemical Property of 2,1-Benzoxazole-4-carboxylic acid

Chemical Property:

• PSA: 63.33000
• LogP: 1.52600
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 163.026943022
• Heavy Atom Count: 12
• Complexity: 195

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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