2-(3-formylphenoxy)acetamide

• ChemBase ID: 307910
• Molecular Formular: C9H9NO3
• Molecular Mass: 179.17266
• Monoisotopic Mass: 179.05824315
• SMILES: C(=O)(COc1cc(C=O)ccc1)N
• Canonical SMILES: O=Cc1cccc(c1)OCC(=O)N
• InChI: InChI=1S/C9H9NO3/c10-9(12)6-13-8-3-1-2-7(4-8)5-11/h1-5H,6H2,(H2,10,12)
• InChIKey: FRBBODVJAIQVJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-formylphenoxy)acetamide
• IUPAC Traditional name: 2-(3-formylphenoxy)acetamide
• Synonyms: 2-(3-formylphenoxy)acetamide

Database IDs

• CAS Number: 849015-95-8
• MDL Number: MFCD04374050

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: 17.82128 Å^3
• Polar Surface Area: 69.39 Å^2