Vescalagin carboxylic acid

Base Information

• Chemical Name: Vescalagin carboxylic acid
• CAS No.: 118964-19-5
• Molecular Formula: C42H26 O27
• Molecular Weight: 962.652
• Wikidata: Q104398650
• Mol file: 118964-19-5.mol

Synonyms:Vescalagin carboxylic acid;118964-19-5

Chemical Property of Vescalagin carboxylic acid

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 16
• Hydrogen Bond Acceptor Count: 27
• Rotatable Bond Count: 1
• Exact Mass: 962.06614555
• Heavy Atom Count: 69
• Complexity: 2060

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2C(C3C4C(C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6C(=O)O3)C7=C(C(=C(C=C7C(=O)O2)O)O)O)O)O)O)O)O)O)C(=O)O)OC(=O)C8=CC(=C(C(=C8C9=CC(=C(C(=C9C(=O)O1)O)O)O)O)O)O

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