8,9-Dihydroxy-1-methylcoumestan

Base Information

• Chemical Name: 8,9-Dihydroxy-1-methylcoumestan
• CAS No.: 115532-07-5
• Molecular Formula: C16H10 O5
• Molecular Weight: 282.25
• DSSTox Substance ID: DTXSID20151129
• Wikidata: Q83017531
• Metabolomics Workbench ID: 22993
• Mol file: 115532-07-5.mol

Synonyms:11,12-DHMC;11,12-dihydroxy-5-methylcoumestan

Chemical Property of 8,9-Dihydroxy-1-methylcoumestan

Chemical Property:

• Vapor Pressure: 4.33E-07mmHg at 25°C
• Boiling Point: 403.5°Cat760mmHg
• Flash Point: 197.9°C
• PSA: 83.81000
• Density: 1.536g/cm³
• LogP: 3.41200
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 282.05282342
• Heavy Atom Count: 21
• Complexity: 438

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=CC=C1)OC(=O)C3=C2OC4=CC(=C(C=C43)O)O

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