4-quinolin-8-ylbenzoic Acid

Base Information

• Chemical Name: 4-quinolin-8-ylbenzoic Acid
• CAS No.: 216059-95-9
• Molecular Formula: C16H11 N O2
• Molecular Weight: 249.26
• DSSTox Substance ID: DTXSID70400538
• Wikidata: Q82203542
• Mol file: 216059-95-9.mol

Synonyms:4-quinolin-8-ylbenzoic Acid;216059-95-9;4-(QUINOLIN-8-YL)BENZOIC ACID;Benzoic acid,4-(8-quinolinyl)-;SCHEMBL2952081;DTXSID70400538;4-(QUINOLIN-8-YL)BENZOICACID;AKOS017565245;EN300-210888;Z1436487315

Chemical Property of 4-quinolin-8-ylbenzoic Acid

Chemical Property:

• Boiling Point: 449.7±33.0 °C(Predicted)
• PKA: 3.65±0.10(Predicted)
• PSA: 50.19000
• Density: 1.280±0.06 g/cm3(Predicted)
• LogP: 3.60000
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 249.078978594
• Heavy Atom Count: 19
• Complexity: 323

Purity/Quality:

99%min ^*data from raw suppliers

4-Quinolin-8-ylbenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)C3=CC=C(C=C3)C(=O)O)N=CC=C2