3-(2-Methylphenoxy)-3-oxopropanoic acid

Base Information

• Chemical Name: 3-(2-Methylphenoxy)-3-oxopropanoic acid
• CAS No.: 53439-79-5
• Molecular Formula: C10H10O4
• Molecular Weight: 194.18
• DSSTox Substance ID: DTXSID50593790
• Wikidata: Q82488348
• Mol file: 53439-79-5.mol

Synonyms:3-(2-methylphenoxy)-3-oxopropanoic acid;53439-79-5;SCHEMBL241600;DTXSID50593790

Chemical Property of 3-(2-Methylphenoxy)-3-oxopropanoic acid

Chemical Property:

• Boiling Point: 292.8±23.0 °C(Predicted)
• PKA: 10.86±0.46(Predicted)
• PSA: 63.60000
• Density: 1.187±0.06 g/cm3(Predicted)
• LogP: 1.20450
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 194.05790880
• Heavy Atom Count: 14
• Complexity: 224

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1OC(=O)CC(=O)O