3,8-Dihydroxy-1-methylanthraquinone-2-carboxylic acid

Base Information

• Chemical Name: 3,8-Dihydroxy-1-methylanthraquinone-2-carboxylic acid
• CAS No.: 69119-31-9
• Molecular Formula: C16H10O6
• Molecular Weight: 298.252
• ChEMBL ID: CHEMBL235387
• DSSTox Substance ID: DTXSID401214929
• Metabolomics Workbench ID: 44588
• Nikkaji Number: J743.958J
• Wikidata: Q105163689

Synonyms:3,8-dihydroxy-1-methylanthraquinone-2-carboxylic acid;3,8-dihydroxymethylanthraquinone carboxylic acid;DMAC-3,8

Chemical Property of 3,8-Dihydroxy-1-methylanthraquinone-2-carboxylic acid

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 298.04773803
• Heavy Atom Count: 22
• Complexity: 515

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=CC=C3)O

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