Murayalactone

Base Information

• Chemical Name: Murayalactone
• CAS No.: 157536-36-2
• Molecular Formula: C18H16 O5
• Molecular Weight: 312.32
• DSSTox Substance ID: DTXSID20166278
• Nikkaji Number: J607.692K
• Wikidata: Q77521066
• Metabolomics Workbench ID: 104911
• Mol file: 157536-36-2.mol

Synonyms:murayalactone

Chemical Property of Murayalactone

Chemical Property:

• Vapor Pressure: 4.91E-14mmHg at 25°C
• Boiling Point: 579.6°C at 760 mmHg
• Flash Point: 215.9°C
• PSA: 87.74000
• Density: 1.35g/cm³
• LogP: 3.64860
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 312.09977361
• Heavy Atom Count: 23
• Complexity: 476

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)C1=C(C(=C2C(=C1)C3=C(C(=CC=C3)O)OC2=O)O)C

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