(2E)-N-(2,4-dimethylphenyl)-2-(N-hydroxyimino)acetamide

• ChemBase ID: 251046
• Molecular Formular: C10H12N2O2
• Molecular Mass: 192.21448
• Monoisotopic Mass: 192.08987763
• SMILES: N(C(=O)/C=N/O)c1c(cc(cc1)C)C
• Canonical SMILES: O/N=C/C(=O)Nc1ccc(cc1C)C
• InChI: InChI=1S/C10H12N2O2/c1-7-3-4-9(8(2)5-7)12-10(13)6-11-14/h3-6,14H,1-2H3,(H,12,13)/b11-6+
• InChIKey: KTGCMUQPJNTITO-IZZDOVSWSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 7343-12-6
• MDL Number: MFCD00464853
• PubChem SID: 164306956
• PubChem CID: 9585147

CALCULATED PROPERTIES

• Acid pKa: 6.270346
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.2691815
• LogD (pH = 7.4): 1.200142
• Log P: 2.3369493
• Molar Refractivity: 55.6814 cm^3
• Polarizability: 20.163454 Å^3
• Polar Surface Area: 61.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.593

Product Information

• Purity: 95%