(E)-N-[1-(1-benzofuran-2-yl)ethylidene]hydroxylamine

• ChemBase ID: 231879
• Molecular Formular: C10H9NO2
• Molecular Mass: 175.18396
• Monoisotopic Mass: 175.06332853
• SMILES: c1(oc2c(c1)cccc2)/C(=N/O)/C
• Canonical SMILES: O/N=C(/c1cc2c(o1)cccc2)\C
• InChI: InChI=1S/C10H9NO2/c1-7(11-12)10-6-8-4-2-3-5-9(8)13-10/h2-6,12H,1H3/b11-7+
• InChIKey: ODADWVAESHXVQX-YRNVUSSQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N-[1-(1-benzofuran-2-yl)ethylidene]hydroxylamine
• IUPAC Traditional name: (E)-N-[1-(1-benzofuran-2-yl)ethylidene]hydroxylamine
• Synonyms: 1-Benzofuran-2-yl-ethanone oxime

Database IDs

• MDL Number: MFCD00116531
• PubChem SID: 164287789
• PubChem CID: 9582954

CALCULATED PROPERTIES

• Acid pKa: 8.245656
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6187155
• LogD (pH = 7.4): 1.5618333
• Log P: 1.6194977
• Molar Refractivity: 49.0011 cm^3
• Polarizability: 19.804537 Å^3
• Polar Surface Area: 45.73 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.631

Product Information

• Purity: 95%