3-Oxo-3-(pyridin-3-YL)propanoic acid

Base Information

• Chemical Name: 3-Oxo-3-(pyridin-3-YL)propanoic acid
• CAS No.: 4939-98-4
• Molecular Formula: C8H7NO3
• Molecular Weight: 165.1461
• DSSTox Substance ID: DTXSID80591562
• Wikidata: Q82485353
• Mol file: 4939-98-4.mol

Synonyms:4939-98-4;3-OXO-3-(PYRIDIN-3-YL)PROPANOIC ACID;3-oxo-3-pyridin-3-ylpropanoic acid;nicotinoylacetic acid;SCHEMBL2694778;DTXSID80591562;AKOS006274289

Chemical Property of 3-Oxo-3-(pyridin-3-YL)propanoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 401.3°Cat760mmHg
• Flash Point: 196.5°C
• PSA: 67.26000
• Density: 1.317g/cm³
• LogP: 0.73900
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 165.042593085
• Heavy Atom Count: 12
• Complexity: 191

Purity/Quality:

95% ^*data from raw suppliers

3-OXO-3-(3-PYRIDYL)PROPIONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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