2-Fluoro-3-oxo-3-phenylpropanoic acid

Base Information

• Chemical Name: 2-Fluoro-3-oxo-3-phenylpropanoic acid
• CAS No.: 110574-55-5
• Molecular Formula: C9H7 F O3
• Molecular Weight: 182.1484832
• DSSTox Substance ID: DTXSID80545080
• Mol file: 110574-55-5.mol

Synonyms:110574-55-5;2-fluoro-3-oxo-3-phenylpropanoic acid;Benzenepropanoic acid, alpha-fluoro-beta-oxo- (9CI);SCHEMBL10767862;DTXSID80545080;Benzenepropanoic acid,alpha-fluoro-beta-oxo-(9ci)

Chemical Property of 2-Fluoro-3-oxo-3-phenylpropanoic acid

Chemical Property:

• Boiling Point: 354.5±27.0 °C(Predicted)
• PKA: 0.59±0.34(Predicted)
• PSA: 54.37000
• Density: 1.320±0.06 g/cm3(Predicted)
• LogP: 1.29200
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 182.03792224
• Heavy Atom Count: 13
• Complexity: 209

Purity/Quality:

99%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C(C(=O)O)F

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