2-(2-acetylphenoxy)acetamide

• ChemBase ID: 27574
• Molecular Formular: C10H11NO3
• Molecular Mass: 193.19924
• Monoisotopic Mass: 193.07389322
• SMILES: c1(C(=O)C)c(OCC(=O)N)cccc1
• Canonical SMILES: NC(=O)COc1ccccc1C(=O)C
• InChI: InChI=1S/C10H11NO3/c1-7(12)8-4-2-3-5-9(8)14-6-10(11)13/h2-5H,6H2,1H3,(H2,11,13)
• InChIKey: UXVUMQDBMPXNKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 445232-49-5
• MDL Number: MFCD02245031
• PubChem SID: 160990881
• PubChem CID: 4577216

CALCULATED PROPERTIES

• Acid pKa: 15.056353
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.044262763
• LogD (pH = 7.4): 0.044262767
• Log P: 0.044262763
• Molar Refractivity: 50.8308 cm^3
• Polarizability: 19.654394 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