5-Methoxycoumarin-3-carboxylic acid

Base Information

• Chemical Name: 5-Methoxycoumarin-3-carboxylic acid
• CAS No.: 81017-29-0
• Molecular Formula: C11H8O5
• DSSTox Substance ID: DTXSID90555392
• Nikkaji Number: J1.055.269I
• Wikidata: Q82436722

Synonyms:81017-29-0;5-methoxy-2-oxo-2H-chromene-3-carboxylic acid;5-methoxycoumarin-3-carboxylic acid;SCHEMBL11337793;DTXSID90555392;5-methoxy-2-oxo-chromene-3-carboxylic acid;5-Methoxy-2-oxo-2H-1-benzopyran-3-carboxylic acid

Chemical Property of 5-Methoxycoumarin-3-carboxylic acid

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 220.03717335
• Heavy Atom Count: 16
• Complexity: 346

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC2=C1C=C(C(=O)O2)C(=O)O

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