(2E)-2-(N-hydroxyimino)-N-(2-methoxyphenyl)acetamide

• ChemBase ID: 58972
• Molecular Formular: C9H10N2O3
• Molecular Mass: 194.1873
• Monoisotopic Mass: 194.06914219
• SMILES: C(=O)(Nc1c(OC)cccc1)/C=N/O
• Canonical SMILES: O/N=C/C(=O)Nc1ccccc1OC
• InChI: InChI=1S/C9H10N2O3/c1-14-8-5-3-2-4-7(8)11-9(12)6-10-13/h2-6,13H,1H3,(H,11,12)/b10-6+
• InChIKey: XJTPRORZFBOGBA-UXBLZVDNSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 6335-42-8
• MDL Number: MFCD00276693
• PubChem SID: 162063735
• PubChem CID: 6861489

CALCULATED PROPERTIES

• Acid pKa: 5.792108
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.9742741
• LogD (pH = 7.4): -0.39770573
• Log P: 1.1524354
• Molar Refractivity: 52.0622 cm^3
• Polarizability: 19.187666 Å^3
• Polar Surface Area: 70.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.514

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%