(2Z)-2-(N-hydroxyimino)-N-(2-methoxyphenyl)-3-oxobutanamide

• ChemBase ID: 232052
• Molecular Formular: C11H12N2O4
• Molecular Mass: 236.22398
• Monoisotopic Mass: 236.07970687
• SMILES: C(=O)(/C(=N\O)/C(=O)C)Nc1c(OC)cccc1
• Canonical SMILES: O/N=C(\C(=O)Nc1ccccc1OC)/C(=O)C
• InChI: InChI=1S/C11H12N2O4/c1-7(14)10(13-16)11(15)12-8-5-3-4-6-9(8)17-2/h3-6,16H,1-2H3,(H,12,15)/b13-10-
• InChIKey: DYBHMKMYRGOXDC-RAXLEYEMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-2-(N-hydroxyimino)-N-(2-methoxyphenyl)-3-oxobutanamide
• IUPAC Traditional name: (2Z)-2-(N-hydroxyimino)-N-(2-methoxyphenyl)-3-oxobutanamide
• Synonyms: 2-Hydroxyimino-N-(2-methoxy-phenyl)-3-oxo-butyramide

Database IDs

• CAS Number: 42056-95-1
• MDL Number: MFCD03988202
• PubChem SID: 164287962
• PubChem CID: 6400646

CALCULATED PROPERTIES

• Acid pKa: 1.394077
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.7276726
• LogD (pH = 7.4): -0.7350993
• Log P: 1.641204
• Molar Refractivity: 61.8979 cm^3
• Polarizability: 22.971886 Å^3
• Polar Surface Area: 87.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.016

Product Information

• Purity: 95%