6,8-Dihydroxy-3-(hydroxymethyl)-1H-2-benzopyran-1-one

Base Information

• Chemical Name: 6,8-Dihydroxy-3-(hydroxymethyl)-1H-2-benzopyran-1-one
• CAS No.: 62209-16-9
• Molecular Formula: C10H8O5
• DSSTox Substance ID: DTXSID80433771
• Nikkaji Number: J577.417I
• Wikidata: Q75063164
• Metabolomics Workbench ID: 117802
• ChEMBL ID: CHEMBL539432

Synonyms:62209-16-9;CHEMBL539432;6,8-Dihydroxy-3-(hydroxymethyl)-1H-2-benzopyran-1-one;SCHEMBL17866981;DTXSID80433771;6,8-dihydroxy-3-hydroxymethylisocoumarin;3-(Hydroxymethyl)-6,8-dihydroxyisocoumarin;6,8-dihydroxy-3-hydroxymethyl isocou-marin

Chemical Property of 6,8-Dihydroxy-3-(hydroxymethyl)-1H-2-benzopyran-1-one

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 208.03717335
• Heavy Atom Count: 15
• Complexity: 298

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C2C=C(OC(=O)C2=C(C=C1O)O)CO

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