(2Z)-N-(4-ethylphenyl)-2-(N-hydroxyimino)acetamide

• ChemBase ID: 59397
• Molecular Formular: C10H12N2O2
• Molecular Mass: 192.21448
• Monoisotopic Mass: 192.08987763
• SMILES: C(=O)(/C=N\O)Nc1ccc(cc1)CC
• Canonical SMILES: CCc1ccc(cc1)NC(=O)/C=N\O
• InChI: InChI=1S/C10H12N2O2/c1-2-8-3-5-9(6-4-8)12-10(13)7-11-14/h3-7,14H,2H2,1H3,(H,12,13)/b11-7-
• InChIKey: NNFBHWYCGXMTCC-XFFZJAGNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-N-(4-ethylphenyl)-2-(N-hydroxyimino)acetamide
• IUPAC Traditional name: (2Z)-N-(4-ethylphenyl)-2-(N-hydroxyimino)acetamide
• Synonyms: (2Z)-N-(4-Ethylphenyl)-2-(hydroxyimino)acetamide

Database IDs

• MDL Number: MFCD18064635
• PubChem SID: 162064160
• PubChem CID: 6400967

CALCULATED PROPERTIES

• Acid pKa: 6.0138493
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.1526005
• LogD (pH = 7.4): 0.90673167
• Log P: 2.2680967
• Molar Refractivity: 55.2412 cm^3
• Polarizability: 20.237803 Å^3
• Polar Surface Area: 61.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false