Barbatolic acid

Base Information

• Chemical Name: Barbatolic acid
• CAS No.: 529-50-0
• Molecular Formula: C18H14O10
• Molecular Weight: 390.303
• DSSTox Substance ID: DTXSID001126675
• Nikkaji Number: J11.730G
• Wikidata: Q105217621
• Mol file: 529-50-0.mol

Synonyms:Barbatolic acid;529-50-0;3-Formyl-6-[(3-formyl-2,4-dihydroxy-6-methylbenzoyl)oxymethyl]-2,4-dihydroxybenzoic acid;CHEBI:144198;DTXSID001126675;(2-Carboxy-4-formyl-3,5-dihydroxyphenyl)methyl 3-formyl-2,4-dihydroxy-6-methylbenzoate

Chemical Property of Barbatolic acid

Chemical Property:

• PSA: 178.66000
• LogP: 1.49760
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 390.05869664
• Heavy Atom Count: 28
• Complexity: 607

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1C(=O)OCC2=CC(=C(C(=C2C(=O)O)O)C=O)O)O)C=O)O