2-(2-formylphenoxy)acetamide

• ChemBase ID: 311796
• Molecular Formular: C9H9NO3
• Molecular Mass: 179.17266
• Monoisotopic Mass: 179.05824315
• SMILES: C(=O)(COc1c(C=O)cccc1)N
• Canonical SMILES: O=Cc1ccccc1OCC(=O)N
• InChI: InChI=1S/C9H9NO3/c10-9(12)6-13-8-4-2-1-3-7(8)5-11/h1-5H,6H2,(H2,10,12)
• InChIKey: JSODEWAZLVCBBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-formylphenoxy)acetamide
• IUPAC Traditional name: 2-(2-formylphenoxy)acetamide
• Synonyms: 2-(2-formylphenoxy)acetamide

Database IDs

• CAS Number: 24590-06-5
• MDL Number: MFCD02257374

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.19911759
• LogD (pH = 7.4): 0.1991176
• Log P: 0.19911759
• Molar Refractivity: 47.012 cm^3
• Polarizability: 17.823137 Å^3
• Polar Surface Area: 69.39 Å^2