N-hydroxy-3-phenoxypropanamide

• ChemBase ID: 262649
• Molecular Formular: C9H11NO3
• Molecular Mass: 181.18854
• Monoisotopic Mass: 181.07389322
• SMILES: C(=O)(CCOc1ccccc1)NO
• Canonical SMILES: ONC(=O)CCOc1ccccc1
• InChI: InChI=1S/C9H11NO3/c11-9(10-12)6-7-13-8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H,10,11)
• InChIKey: PTLMVTWTWJSJBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hydroxy-3-phenoxypropanamide
• IUPAC Traditional name: N-hydroxy-3-phenoxypropanamide
• Synonyms: N-hydroxy-3-phenoxypropanamide

Database IDs

• MDL Number: MFCD02295792
• PubChem SID: 164318559
• PubChem CID: 21935074

CALCULATED PROPERTIES

• Acid pKa: 8.883173
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.7202674
• LogD (pH = 7.4): 0.7064666
• Log P: 0.7204462
• Molar Refractivity: 46.892 cm^3
• Polarizability: 18.382915 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 138 - 140°C
• Hydrophobicity(logP): 0.574

Product Information

• Purity: 95%