2-(4-acetylphenoxy)acetamide

• ChemBase ID: 27582
• Molecular Formular: C10H11NO3
• Molecular Mass: 193.19924
• Monoisotopic Mass: 193.07389322
• SMILES: C(=O)(COc1ccc(C(=O)C)cc1)N
• Canonical SMILES: NC(=O)COc1ccc(cc1)C(=O)C
• InChI: InChI=1S/C10H11NO3/c1-7(12)8-2-4-9(5-3-8)14-6-10(11)13/h2-5H,6H2,1H3,(H2,11,13)
• InChIKey: WNPYFCWDYCFXJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-acetylphenoxy)acetamide
• IUPAC Traditional name: 2-(4-acetylphenoxy)acetamide
• Synonyms: 2-(4-Acetylphenoxy)acetamide

Database IDs

• CAS Number: 42017-88-9
• MDL Number: MFCD01922552
• PubChem SID: 160990889
• PubChem CID: 778090

CALCULATED PROPERTIES

• Acid pKa: 15.1321535
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.044262763
• LogD (pH = 7.4): 0.04426277
• Log P: 0.044262763
• Molar Refractivity: 50.8308 cm^3
• Polarizability: 19.651922 Å^3
• Polar Surface Area: 69.39 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false