2,5-Cyclohexadiene-1,4-dione, 2-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl)-5-methoxy-

Base Information

• Chemical Name: 2,5-Cyclohexadiene-1,4-dione, 2-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl)-5-methoxy-
• CAS No.: 112448-38-1
• Molecular Formula: C16H10 O7
• Molecular Weight: 314.2464
• DSSTox Substance ID: DTXSID20150056
• Wikidata: Q83015981
• Metabolomics Workbench ID: 22582
• ChEMBL ID: CHEMBL478972

Synonyms:5-hydroxybowdichione;2,5-Cyclohexadiene-1,4-dione, 2-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl)-5-methoxy-;112448-38-1;CHEMBL478972;DTXSID20150056;LMPK12050445;2-(5,7-Dihydroxy-4-oxo-4H-chromen-3-yl)-5-methoxy-1,4-benzoquinone

Chemical Property of 2,5-Cyclohexadiene-1,4-dione, 2-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl)-5-methoxy-

Chemical Property:

• Vapor Pressure: 8.36E-11mmHg at 25°C
• Boiling Point: 504.6°C at 760 mmHg
• Flash Point: 190.5°C
• Density: 1.62g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 314.04265265
• Heavy Atom Count: 23
• Complexity: 670

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=O)C(=CC1=O)C2=COC3=CC(=CC(=C3C2=O)O)O

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