(2E)-2-(N-hydroxyimino)-N-(4-methoxyphenyl)acetamide

• ChemBase ID: 250574
• Molecular Formular: C9H10N2O3
• Molecular Mass: 194.1873
• Monoisotopic Mass: 194.06914219
• SMILES: C(=O)(/C=N/O)Nc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)NC(=O)/C=N/O
• InChI: InChI=1S/C9H10N2O3/c1-14-8-4-2-7(3-5-8)11-9(12)6-10-13/h2-6,13H,1H3,(H,11,12)/b10-6+
• InChIKey: MDEHFNBKDPLEEJ-UXBLZVDNSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00115436
• PubChem SID: 164306484
• PubChem CID: 6411017

CALCULATED PROPERTIES

• Acid pKa: 5.594982
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.8977598
• LogD (pH = 7.4): -0.5561197
• Log P: 1.1524354
• Molar Refractivity: 52.0622 cm^3
• Polarizability: 19.185623 Å^3
• Polar Surface Area: 70.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 180 - 182°C
• Hydrophobicity(logP): 0.514

Product Information

• Purity: 95%