4-(4-Formyl-3-methoxyphenoxy)butanoic acid

Base Information

• Chemical Name: 4-(4-Formyl-3-methoxyphenoxy)butanoic acid
• CAS No.: 309964-23-6
• Molecular Formula: C12H14O5
• Molecular Weight: 238.24
• Hs Code.: 2918990090
• European Community (EC) Number: 672-379-6
• DSSTox Substance ID: DTXSID20374694
• Nikkaji Number: J1.727.688C
• Wikidata: Q82163278
• Mol file: 309964-23-6.mol

Synonyms:4-(4'-formyl-3'-methoxyphenoxy)butyric acid

Chemical Property of 4-(4-Formyl-3-methoxyphenoxy)butanoic acid

Chemical Property:

• Vapor Pressure: 2.58E-09mmHg at 25°C
• Refractive Index: 1.552
• Boiling Point: 461.5 °C at 760 mmHg
• PKA: 4.59±0.10(Predicted)
• Flash Point: 180.1 °C
• PSA: 72.83000
• Density: 1.232 g/cm³
• LogP: 1.75130
• Storage Temp.: 0-6°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 238.08412354
• Heavy Atom Count: 17
• Complexity: 253

Purity/Quality:

97% ^*data from raw suppliers

4-(4-Formyl-3-methoxyphenoxy)butanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)OCCCC(=O)O)C=O
• Uses: 4-(4-ForMyl-3-Methoxyphenoxy)butanoic Acid can be used in the preparation of amino(benzoyl)2-furylthiazoles and related compounds as adenosine A2A receptor antagonists via either a multistep procedure or a solid phase combinatorial preparation.