2-(4-hydroxy-3,5-dimethoxybenzylidene)-1-benzothiophen-3(2H)-one

Base Information

• Chemical Name: 2-(4-hydroxy-3,5-dimethoxybenzylidene)-1-benzothiophen-3(2H)-one
• CAS No.: 5659-88-1
• Molecular Formula: C17H20 O9
• Molecular Weight: 314.3557
• DSSTox Substance ID: DTXSID60357002
• Wikidata: Q82136678

Synonyms:2-(4-hydroxy-3,5-dimethoxybenzylidene)-1-benzothiophen-3(2H)-one;5659-88-1;(2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-benzothiophen-3-one;AK-968/37055112;DTXSID60357002;BIM-0027179.P001;SR-01000216187;SR-01000216187-1

Chemical Property of 2-(4-hydroxy-3,5-dimethoxybenzylidene)-1-benzothiophen-3(2H)-one

Chemical Property:

• Vapor Pressure: 7.53E-11mmHg at 25°C
• Boiling Point: 505.7°C at 760 mmHg
• Flash Point: 259.6°C
• Density: 1.374g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 314.06128010
• Heavy Atom Count: 22
• Complexity: 436

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1O)OC)C=C2C(=O)C3=CC=CC=C3S2
• Isomeric SMILES: COC1=CC(=CC(=C1O)OC)/C=C\2/C(=O)C3=CC=CC=C3S2

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