5-(3-Cyanophenyl)nicotinic acid

Base Information

• Chemical Name: 5-(3-Cyanophenyl)nicotinic acid
• CAS No.: 893740-73-3
• Molecular Formula: C₁₃H₈N₂O₂
• Molecular Weight: 224.219
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID40602522
• Wikidata: Q82499631
• Mol file: 893740-73-3.mol

Synonyms:5-(3-Cyanophenyl)nicotinic acid;893740-73-3;5-(3-cyanophenyl)pyridine-3-carboxylic acid;5-(3-Cyanophenyl)nicotinicacid;5-(3-cyanophenyl)-3-pyridinecarboxylic acid;DTXSID40602522;MFCD06410281;AKOS004113081;AB24294;DB-316858;5-(3-cyanophenyl)nicotinic acid, AldrichCPR;CS-0360567;F80000;A843176

Chemical Property of 5-(3-Cyanophenyl)nicotinic acid

Chemical Property:

• PSA: 73.98000
• LogP: 2.31848
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 224.058577502
• Heavy Atom Count: 17
• Complexity: 334

Purity/Quality:

98%min ^*data from raw suppliers

5-(3-Cyanophenyl)nicotinicacid 95+% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C2=CC(=CN=C2)C(=O)O)C#N