(2E)-2-(N-hydroxyimino)-N-phenylacetamide

• ChemBase ID: 231897
• Molecular Formular: C8H8N2O2
• Molecular Mass: 164.16132
• Monoisotopic Mass: 164.05857751
• SMILES: C(=O)(/C=N/O)Nc1ccccc1
• Canonical SMILES: O/N=C/C(=O)Nc1ccccc1
• InChI: InChI=1S/C8H8N2O2/c11-8(6-9-12)10-7-4-2-1-3-5-7/h1-6,12H,(H,10,11)/b9-6+
• InChIKey: UFNDNNCDEFJCHU-RMKNXTFCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-2-(N-hydroxyimino)-N-phenylacetamide
• IUPAC Traditional name: (2E)-2-(N-hydroxyimino)-N-phenylacetamide
• Synonyms: 2-Hydroxyimino-N-phenyl-acetamide

Database IDs

• CAS Number: 1769-41-1
• MDL Number: MFCD00233405
• PubChem SID: 164287807
• PubChem CID: 6861488

CALCULATED PROPERTIES

• Acid pKa: 6.0392265
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2004026
• LogD (pH = 7.4): -0.029200237
• Log P: 1.3101066
• Molar Refractivity: 45.599 cm^3
• Polarizability: 16.642963 Å^3
• Polar Surface Area: 61.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 180 - 182°C
• Hydrophobicity(logP): 0.595

Product Information

• Purity: 95%