(2E)-N-(3,5-dimethylphenyl)-2-(N-hydroxyimino)acetamide

• ChemBase ID: 250855
• Molecular Formular: C10H12N2O2
• Molecular Mass: 192.21448
• Monoisotopic Mass: 192.08987763
• SMILES: C(=O)(/C=N/O)Nc1cc(cc(c1)C)C
• Canonical SMILES: O/N=C/C(=O)Nc1cc(C)cc(c1)C
• InChI: InChI=1S/C10H12N2O2/c1-7-3-8(2)5-9(4-7)12-10(13)6-11-14/h3-6,14H,1-2H3,(H,12,13)/b11-6+
• InChIKey: XEHVVWZVBJBGMB-IZZDOVSWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-N-(3,5-dimethylphenyl)-2-(N-hydroxyimino)acetamide
• IUPAC Traditional name: (2E)-N-(3,5-dimethylphenyl)-2-(N-hydroxyimino)acetamide
• Synonyms: (2E)-N-(3,5-dimethylphenyl)-2-(hydroxyimino)acetamide

Database IDs

• CAS Number: 35162-44-8
• MDL Number: MFCD07689446
• PubChem SID: 164306765
• PubChem CID: 9693199

CALCULATED PROPERTIES

• Acid pKa: 6.2679954
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.2688415
• LogD (pH = 7.4): 1.1980796
• Log P: 2.3369493
• Molar Refractivity: 55.6814 cm^3
• Polarizability: 20.163363 Å^3
• Polar Surface Area: 61.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.8

Product Information

• Purity: 95%