4-Quinolineacrylic acid

Base Information

• Chemical Name: 4-Quinolineacrylic acid
• CAS No.: 13026-20-5
• Molecular Formula: C12H9 N O2
• Molecular Weight: 199.2054
• NSC Number: 100029
• DSSTox Substance ID: DTXSID50418919
• Wikidata: Q82229651
• Mol file: 13026-20-5.mol

Synonyms:4-Quinolineacrylic acid;13026-20-5;DTXSID50418919;NSC100029;NSC-100029

Chemical Property of 4-Quinolineacrylic acid

Chemical Property:

• Vapor Pressure: 2.17E-07mmHg at 25°C
• Boiling Point: 408°C at 760 mmHg
• Flash Point: 200.6°C
• Density: 1.307g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 199.063328530
• Heavy Atom Count: 15
• Complexity: 262

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CC=N2)C=CC(=O)O
• Isomeric SMILES: C1=CC=C2C(=C1)C(=CC=N2)/C=C\C(=O)O