2-hydroxy-2-phenylacetamide

• ChemBase ID: 7780
• Molecular Formular: C8H9NO2
• Molecular Mass: 151.16256
• Monoisotopic Mass: 151.06332853
• SMILES: c1cccc(c1)C(C(=O)N)O
• Canonical SMILES: OC(c1ccccc1)C(=O)N
• InChI: InChI=1S/C8H9NO2/c9-8(11)7(10)6-4-2-1-3-5-6/h1-5,7,10H,(H2,9,11)
• InChIKey: MAGPZHKLEZXLNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-2-phenylacetamide
• IUPAC Traditional name: O-hydroxy phenylacetamide
• Synonyms: DL-Mandelamide

Database IDs

• CAS Number: 4410-31-5
• MDL Number: MFCD00025495
• PubChem SID: 160971087
• PubChem CID: 73558

CALCULATED PROPERTIES

• Acid pKa: 12.470764
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.08889298
• LogD (pH = 7.4): 0.08888935
• Log P: 0.08889303
• Molar Refractivity: 40.526 cm^3
• Polarizability: 15.837317 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 133-134°C

Safety Information

• TSCA Listed: false

Product Information

• Purity: 98%