Phenylmandelic acid

Base Information

• Chemical Name: Phenylmandelic acid
• CAS No.: 450-52-2
• Molecular Formula: C14H12 O3
• Molecular Weight: 228.247
• Hs Code.: 2918199090
• NSC Number: 18768
• Nikkaji Number: J1.679.980G
• ChEMBL ID: CHEMBL3247384
• Mol file: 450-52-2.mol

Synonyms:4-phenylmandelic acid;p-phenylmandelic acid;phenol-mandelic acid;phenylmandelic acid;phenylmandelic acid, (+-)-isomer

Chemical Property of Phenylmandelic acid

Chemical Property:

• Vapor Pressure: 1.55E-08mmHg at 25°C
• Boiling Point: 440.5°Cat760mmHg
• Flash Point: 234.3°C
• PSA: 57.53000
• Density: 1.265g/cm³
• LogP: 2.47160
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 228.078644241
• Heavy Atom Count: 17
• Complexity: 250

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(C(=O)O)O