7-(4,5-Dihydroxy-10-oxoanthracen-9(10H)-ylidene)oxepan-2-one

Base Information

• Chemical Name: 7-(4,5-Dihydroxy-10-oxoanthracen-9(10H)-ylidene)oxepan-2-one
• CAS No.: 122993-74-2
• Molecular Formula: C20H16O5
• DSSTox Substance ID: DTXSID30568305
• Nikkaji Number: J431.259G

Synonyms:122993-74-2;DTXSID30568305;7-(4,5-Dihydroxy-10-oxoanthracen-9(10H)-ylidene)oxepan-2-one

Chemical Property of 7-(4,5-Dihydroxy-10-oxoanthracen-9(10H)-ylidene)oxepan-2-one

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 336.09977361
• Heavy Atom Count: 25
• Complexity: 563

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=O)OC(=C2C3=C(C(=CC=C3)O)C(=O)C4=C2C=CC=C4O)C1

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