5-(3-(3-Carboxy-4-hydroxyphenyl)-1-oxo-2-propenyl)-2,4-dihydroxybenzoic acid

Base Information

• Chemical Name: 5-(3-(3-Carboxy-4-hydroxyphenyl)-1-oxo-2-propenyl)-2,4-dihydroxybenzoic acid
• CAS No.: 82846-16-0
• Molecular Formula: C17H12O8
• Molecular Weight: 344.2724
• Wikidata: Q76326993
• Mol file: 82846-16-0.mol

Synonyms:5-(3-(3-Carboxy-4-hydroxyphenyl)-1-oxo-2-propenyl)-2,4-dihydroxybenzoic acid;82846-16-0;BENZOIC ACID, 5-(3-(3-CARBOXY-4-HYDROXYPHENYL)-1-OXO-2-PROPENYL)-2,4-DIHYDROXY-

Chemical Property of 5-(3-(3-Carboxy-4-hydroxyphenyl)-1-oxo-2-propenyl)-2,4-dihydroxybenzoic acid

Chemical Property:

• Vapor Pressure: 1.34E-20mmHg at 25°C
• Boiling Point: 700.5°Cat760mmHg
• Flash Point: 391.4°C
• PSA: 152.36000
• Density: 1.638g/cm³
• LogP: 2.09590
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 344.05321734
• Heavy Atom Count: 25
• Complexity: 557

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

5-(3-(3-CARBOXY-4-HYDROXYPHENYL)-1-OXO-2-PROPENYL)-2,4-DIHYDROXYBENZOI C ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C=CC(=O)C2=CC(=C(C=C2O)O)C(=O)O)C(=O)O)O
• Isomeric SMILES: C1=CC(=C(C=C1/C=C/C(=O)C2=CC(=C(C=C2O)O)C(=O)O)C(=O)O)O

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