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

• ChemBase ID: 231893
• Molecular Formular: C10H12N2O2
• Molecular Mass: 192.21448
• Monoisotopic Mass: 192.08987763
• SMILES: c1(NC(=O)/C=N/O)c(c(ccc1)C)C
• Canonical SMILES: Cc1c(NC(=O)/C=N/O)cccc1C
• InChI: InChI=1S/C10H12N2O2/c1-7-4-3-5-9(8(7)2)12-10(13)6-11-14/h3-6,14H,1-2H3,(H,12,13)/b11-6+
• InChIKey: PRPGCAGEBHARKN-IZZDOVSWSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 6579-44-8
• MDL Number: MFCD04610449
• PubChem SID: 164287803
• PubChem CID: 6906014

CALCULATED PROPERTIES

• Acid pKa: 6.272003
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.2694201
• LogD (pH = 7.4): 1.2015954
• Log P: 2.3369493
• Molar Refractivity: 55.6814 cm^3
• Polarizability: 20.163784 Å^3
• Polar Surface Area: 61.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 110 - 112°C
• Hydrophobicity(logP): 1.543

Product Information

• Purity: 95%