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

• ChemBase ID: 262653
• Molecular Formular: C9H11NO3
• Molecular Mass: 181.18854
• Monoisotopic Mass: 181.07389322
• SMILES: C(=O)(NO)Cc1ccc(cc1)OC
• Canonical SMILES: ONC(=O)Cc1ccc(cc1)OC
• InChI: InChI=1S/C9H11NO3/c1-13-8-4-2-7(3-5-8)6-9(11)10-12/h2-5,12H,6H2,1H3,(H,10,11)
• InChIKey: GVQZXTOLLXBWNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09934263
• PubChem SID: 164318563
• PubChem CID: 12814959

CALCULATED PROPERTIES

• Acid pKa: 8.859259
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.64300954
• LogD (pH = 7.4): 0.62844104
• Log P: 0.6431985
• Molar Refractivity: 47.4156 cm^3
• Polarizability: 18.379221 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 159 - 161°C
• Hydrophobicity(logP): 0.263

Product Information

• Purity: 95%