3-(3-Pyridyl)coumarin

Base Information

• Chemical Name: 3-(3-Pyridyl)coumarin
• CAS No.: 837-96-7
• Molecular Formula: C₁₄H₉NO₂
• Molecular Weight: 223.231
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90232535
• Nikkaji Number: J48.500D
• Wikidata: Q83113600
• Mol file: 837-96-7.mol

Synonyms:3-(3-Pyridyl)coumarin;837-96-7;COUMARIN, 3-(3-PYRIDYL)-;BRN 0882061;3-pyridin-3-ylchromen-2-one;3-pyridylcoumarin;SCHEMBL3490539;DTXSID90232535;3-(3-pyridinyl)-2H-chromen-2-one;3-(Pyridin-3-yl)-2H-chromen-2-one;LS-55271;2H-1-Benzopyran-2-one, 3-(3-pyridinyl)-

Chemical Property of 3-(3-Pyridyl)coumarin

Chemical Property:

• Vapor Pressure: 1.13E-07mmHg at 25°C
• Boiling Point: 432.2°C at 760 mmHg
• Flash Point: 215.2°C
• PSA: 43.10000
• Density: 1.294g/cm³
• LogP: 2.85500
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 223.063328530
• Heavy Atom Count: 17
• Complexity: 337

Purity/Quality:

98%min ^*data from raw suppliers

3-(3-PYRIDINYL)-2H-CHROMEN-2-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN=CC=C3

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