N-[4-(2-oxoacetyl)phenyl]acetamide

• ChemBase ID: 813338
• Molecular Formular: C10H9NO3
• Molecular Mass: 191.18336
• Monoisotopic Mass: 191.05824315
• SMILES: CC(=O)Nc1ccc(cc1)C(=O)C=O
• Canonical SMILES: O=CC(=O)c1ccc(cc1)NC(=O)C
• InChI: InChI=1S/C10H9NO3/c1-7(13)11-9-4-2-8(3-5-9)10(14)6-12/h2-6H,1H3,(H,11,13)
• InChIKey: MREMDXZTQRBMOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(2-oxoacetyl)phenyl]acetamide
• IUPAC Traditional name: N-[4-(2-oxoacetyl)phenyl]acetamide
• Synonyms: N-(4-(2-OXOACETYL)PHENYL)ACETAMIDE

Database IDs

• CAS Number: 67014-06-6

CALCULATED PROPERTIES

• Acid pKa: 13.579439
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8582744
• LogD (pH = 7.4): 0.8582741
• Log P: 0.8582744
• Molar Refractivity: 52.1801 cm^3
• Polarizability: 19.04082 Å^3
• Polar Surface Area: 63.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%