4,6-Dihydroxy-2-(1-hydroxy-2-oxopropyl)-3-methoxybenzoic acid

Base Information

• Chemical Name: 4,6-Dihydroxy-2-(1-hydroxy-2-oxopropyl)-3-methoxybenzoic acid
• CAS No.: 10088-67-2
• Molecular Formula: C₁₁H₁₂O₇
• Molecular Weight: 256.212
• DSSTox Substance ID: DTXSID80702691
• Nikkaji Number: J94.596J
• Mol file: 10088-67-2.mol

Synonyms:Ustic acid;10088-67-2;DTXSID80702691;4,6-dihydroxy-2-(1-hydroxy-2-oxopropyl)-3-methoxybenzoic acid;.beta.-Resorcylic acid, 6-(.alpha.-hydroxyacetonyl)-5-methoxy-;Benzoic acid, 4,6-dihydroxy-2-(1-hydroxy-2-oxopropyl)-3-methoxy-

Chemical Property of 4,6-Dihydroxy-2-(1-hydroxy-2-oxopropyl)-3-methoxybenzoic acid

Chemical Property:

• PSA: 124.29000
• LogP: 0.42700
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 256.05830272
• Heavy Atom Count: 18
• Complexity: 329

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C(C1=C(C(=CC(=C1OC)O)O)C(=O)O)O

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