(2E)-2-(N-hydroxyimino)-N-(3-methoxyphenyl)acetamide

• ChemBase ID: 251271
• Molecular Formular: C9H10N2O3
• Molecular Mass: 194.1873
• Monoisotopic Mass: 194.06914219
• SMILES: C(=O)(/C=N/O)Nc1cc(OC)ccc1
• Canonical SMILES: O/N=C/C(=O)Nc1cccc(c1)OC
• InChI: InChI=1S/C9H10N2O3/c1-14-8-4-2-3-7(5-8)11-9(12)6-10-13/h2-6,13H,1H3,(H,11,12)/b10-6+
• InChIKey: FVZBWVYCQZIHAD-UXBLZVDNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-2-(N-hydroxyimino)-N-(3-methoxyphenyl)acetamide
• IUPAC Traditional name: (2E)-2-(N-hydroxyimino)-N-(3-methoxyphenyl)acetamide
• Synonyms: (2E)-2-(hydroxyimino)-N-(3-methoxyphenyl)acetamide

Database IDs

• CAS Number: 6966-87-6
• MDL Number: MFCD07324836
• PubChem SID: 164307181
• PubChem CID: 9561683

CALCULATED PROPERTIES

• Acid pKa: 5.8018174
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.9775106
• LogD (pH = 7.4): -0.3896335
• Log P: 1.1524354
• Molar Refractivity: 52.0622 cm^3
• Polarizability: 19.186403 Å^3
• Polar Surface Area: 70.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 166 - 167°C
• Hydrophobicity(logP): 0.514

Product Information

• Purity: 95%