4-(3,5-Dimethoxyphenyl)-4-oxo-2-hydroxybutanoic acid

Base Information

• Chemical Name: 4-(3,5-Dimethoxyphenyl)-4-oxo-2-hydroxybutanoic acid
• CAS No.: 81008-15-3
• Molecular Formula: C12H14 O6
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID401001702
• Mol file: 81008-15-3.mol

Synonyms:81008-15-3;4-(3,5-Dimethoxyphenyl)-4-oxo-2-hydroxybutanoic acid;3,5-Dimethoxy-alpha-hydroxy-gamma-oxobenzenebutanoic acid;Benzenebutanoic acid, 3,5-dimethoxy-alpha-hydroxy-gamma-oxo-;4-(3,5-dimethoxyphenyl)-2-hydroxy-4-oxobutanoic acid;SCHEMBL11152650;DTXSID401001702;LS-29343

Chemical Property of 4-(3,5-Dimethoxyphenyl)-4-oxo-2-hydroxybutanoic acid

Chemical Property:

• Vapor Pressure: 1.85E-10mmHg at 25°C
• Boiling Point: 491.1°C at 760 mmHg
• Flash Point: 191°C
• PSA: 93.06000
• Density: 1.307g/cm³
• LogP: 0.72210
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 254.07903816
• Heavy Atom Count: 18
• Complexity: 291

Purity/Quality:

4-(3,5-DIMETHOXYPHENYL)-4-OXO-2-HYDROXYBUTANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1)C(=O)CC(C(=O)O)O)OC

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