N-(1-benzofuran-2-yl)acetamide

• ChemBase ID: 815567
• Molecular Formular: C10H9NO2
• Molecular Mass: 175.18396
• Monoisotopic Mass: 175.06332853
• SMILES: CC(=O)Nc1oc2c(c1)cccc2
• Canonical SMILES: CC(=O)Nc1cc2c(o1)cccc2
• InChI: InChI=1S/C10H9NO2/c1-7(12)11-10-6-8-4-2-3-5-9(8)13-10/h2-6H,1H3,(H,11,12)
• InChIKey: TYFTYPUMKHGTKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-benzofuran-2-yl)acetamide
• IUPAC Traditional name: N-(1-benzofuran-2-yl)acetamide
• Synonyms: N-(benzofuran-2-yl)acetamide

Database IDs

• CAS Number: 65847-73-6

CALCULATED PROPERTIES

• Acid pKa: 9.794732
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.4593496
• LogD (pH = 7.4): 1.4577112
• Log P: 1.4593706
• Molar Refractivity: 49.0154 cm^3
• Polarizability: 19.58839 Å^3
• Polar Surface Area: 42.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%