2-(5-formyl-2-methoxyphenoxy)acetamide

• ChemBase ID: 233329
• Molecular Formular: C10H11NO4
• Molecular Mass: 209.19864
• Monoisotopic Mass: 209.06880784
• SMILES: c1(OCC(=O)N)c(ccc(c1)C=O)OC
• Canonical SMILES: COc1ccc(cc1OCC(=O)N)C=O
• InChI: InChI=1S/C10H11NO4/c1-14-8-3-2-7(5-12)4-9(8)15-6-10(11)13/h2-5H,6H2,1H3,(H2,11,13)
• InChIKey: YEDZZTCCFUMXLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-formyl-2-methoxyphenoxy)acetamide
• IUPAC Traditional name: 2-(5-formyl-2-methoxyphenoxy)acetamide
• Synonyms: 2-(5-formyl-2-methoxyphenoxy)acetamide

Database IDs

• MDL Number: MFCD02257680
• PubChem SID: 164289239
• PubChem CID: 890943

CALCULATED PROPERTIES

• Acid pKa: 14.895284
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.041446324
• LogD (pH = 7.4): 0.041446336
• Log P: 0.041446324
• Molar Refractivity: 53.4752 cm^3
• Polarizability: 20.37035 Å^3
• Polar Surface Area: 78.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 136 - 138°C
• Hydrophobicity(logP): -0.055

Product Information

• Purity: 95%