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

• ChemBase ID: 231310
• Molecular Formular: C9H10N2O2
• Molecular Mass: 178.1879
• Monoisotopic Mass: 178.07422757
• SMILES: C(=O)(/C=N/O)Nc1ccc(cc1)C
• Canonical SMILES: O/N=C/C(=O)Nc1ccc(cc1)C
• InChI: InChI=1S/C9H10N2O2/c1-7-2-4-8(5-3-7)11-9(12)6-10-13/h2-6,13H,1H3,(H,11,12)/b10-6+
• InChIKey: AEWRKRLVPROQRN-UXBLZVDNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-2-(N-hydroxyimino)-N-(4-methylphenyl)acetamide
• IUPAC Traditional name: (2E)-2-(N-hydroxyimino)-N-(4-methylphenyl)acetamide
• Synonyms: 2-Hydroxyimino-N-p-tolyl-acetamide

Database IDs

• CAS Number: 1132-40-7
• MDL Number: MFCD00178295
• PubChem SID: 164287220
• PubChem CID: 6864756

CALCULATED PROPERTIES

• Acid pKa: 6.15924
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7378609
• LogD (pH = 7.4): 0.5891753
• Log P: 1.823528
• Molar Refractivity: 50.6402 cm^3
• Polarizability: 18.402235 Å^3
• Polar Surface Area: 61.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 145 - 147°C
• Hydrophobicity(logP): 1.094

Product Information

• Purity: 95%