2-(4-formyl-2-methoxyphenoxy)acetamide

• ChemBase ID: 17346
• Molecular Formular: C10H11NO4
• Molecular Mass: 209.19864
• Monoisotopic Mass: 209.06880784
• SMILES: c1(c(OCC(=O)N)ccc(c1)C=O)OC
• Canonical SMILES: COc1cc(C=O)ccc1OCC(=O)N
• InChI: InChI=1S/C10H11NO4/c1-14-9-4-7(5-12)2-3-8(9)15-6-10(11)13/h2-5H,6H2,1H3,(H2,11,13)
• InChIKey: VGHIVGWATFYZKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-formyl-2-methoxyphenoxy)acetamide
• IUPAC Traditional name: 2-(4-formyl-2-methoxyphenoxy)acetamide
• Synonyms: 2-(4-formyl-2-methoxyphenoxy)acetamide; 2-(4-Formyl-2-methoxy-phenoxy)-acetamide; 2-(4-Formyl-2-methoxyphenoxy)acetamide; 4-(2-Amino-2-oxoethoxy)-3-methoxybenzaldehyde

Database IDs

• CAS Number: 186685-89-2
• MDL Number: MFCD01050452
• PubChem SID: 160980653
• PubChem CID: 610599

CALCULATED PROPERTIES

• Acid pKa: 14.895479
• 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: 20.370367 Å^3
• Polar Surface Area: 78.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 155 - 157°C
• Hydrophobicity(logP): -0.055

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%