3-Galloylshikimic acid

Base Information

• Chemical Name: 3-Galloylshikimic acid
• CAS No.: 110082-91-2
• Molecular Formula: C14H14O9
• UNII: 0Q46TTD0BA
• Nikkaji Number: J489.512F
• Mol file: 110082-91-2.mol

Synonyms:3-Galloylshikimic acid;0Q46TTD0BA;UNII-0Q46TTD0BA;Benzoic acid, 3,4,5-trihydroxy-, (1R,5R,6S)-3-carboxy-5,6-dihydroxy-2-cyclohexen-1-yl ester;110082-91-2;Q27237097

Chemical Property of 3-Galloylshikimic acid

Chemical Property:

• XLogP3: -0.6
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 326.06378202
• Heavy Atom Count: 23
• Complexity: 491

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(C(C=C1C(=O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O
• Isomeric SMILES: C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O

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