N-hydroxy-2-(4-methylphenyl)acetamide

• ChemBase ID: 262468
• Molecular Formular: C9H11NO2
• Molecular Mass: 165.18914
• Monoisotopic Mass: 165.0789786
• SMILES: C(=O)(NO)Cc1ccc(cc1)C
• Canonical SMILES: ONC(=O)Cc1ccc(cc1)C
• InChI: InChI=1S/C9H11NO2/c1-7-2-4-8(5-3-7)6-9(11)10-12/h2-5,12H,6H2,1H3,(H,10,11)
• InChIKey: QTKHIUNOPRTAMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hydroxy-2-(4-methylphenyl)acetamide
• IUPAC Traditional name: N-hydroxy-2-(4-methylphenyl)acetamide
• Synonyms: N-hydroxy-2-(4-methylphenyl)acetamide

Database IDs

• MDL Number: MFCD11204735
• PubChem SID: 164318378
• PubChem CID: 23380591

CALCULATED PROPERTIES

• Acid pKa: 8.859259
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.3141022
• LogD (pH = 7.4): 1.2995337
• Log P: 1.3142911
• Molar Refractivity: 45.9936 cm^3
• Polarizability: 17.603222 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 155 - 157°C
• Hydrophobicity(logP): 0.843

Product Information

• Purity: 95%