2-(2-ethoxy-4-formylphenoxy)acetamide

• ChemBase ID: 16163
• Molecular Formular: C11H13NO4
• Molecular Mass: 223.22522
• Monoisotopic Mass: 223.0844579
• SMILES: c1(c(OCC(=O)N)ccc(c1)C=O)OCC
• Canonical SMILES: CCOc1cc(C=O)ccc1OCC(=O)N
• InChI: InChI=1S/C11H13NO4/c1-2-15-10-5-8(6-13)3-4-9(10)16-7-11(12)14/h3-6H,2,7H2,1H3,(H2,12,14)
• InChIKey: SVAIFXRICURVNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-ethoxy-4-formylphenoxy)acetamide
• IUPAC Traditional name: 2-(2-ethoxy-4-formylphenoxy)acetamide
• Synonyms: 2-(2-ethoxy-4-formylphenoxy)acetamide; 2-(2-Ethoxy-4-formyl-phenoxy)-acetamide

Database IDs

• MDL Number: MFCD01922673
• PubChem SID: 160979470
• PubChem CID: 874614

CALCULATED PROPERTIES

• Acid pKa: 15.017574
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.39825428
• LogD (pH = 7.4): 0.39825428
• Log P: 0.39825428
• Molar Refractivity: 58.2238 cm^3
• Polarizability: 22.19849 Å^3
• Polar Surface Area: 78.62 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.474

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%