Melochinone

Base Information

• Chemical Name: Melochinone
• CAS No.: 57609-68-4
• Molecular Formula: C22H21 N O2
• Molecular Weight: 331.41
• DSSTox Substance ID: DTXSID70206239
• Nikkaji Number: J31.868J
• Wikidata: Q27107318
• Metabolomics Workbench ID: 69525
• Mol file: 57609-68-4.mol

Synonyms:2-methoxy-3-methyl-7-phenyl-9,10,11-trihydro(4H)- cyclohepta(f)quinolinone;melochinone

Chemical Property of Melochinone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 514.8°Cat760mmHg
• Flash Point: 265.1°C
• PSA: 42.09000
• Density: 1.22g/cm³
• LogP: 4.61310
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 331.157228913
• Heavy Atom Count: 25
• Complexity: 585

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)C2=C(N1)C=CC3=C2CCCC=C3C4=CC=CC=C4)OC
• Description: This novel quinolinone alkaloid occurs in the tumourogenic plant Meolchia tornentosa. The structure, as that containing a fuzed seven-membered ring, has been determined by X-ray crystallography using direct methods.

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