2-methoxyacetamide

• ChemBase ID: 250916
• Molecular Formular: C3H7NO2
• Molecular Mass: 89.09318
• Monoisotopic Mass: 89.04767847
• SMILES: C(=O)(N)COC
• Canonical SMILES: COCC(=O)N
• InChI: InChI=1S/C3H7NO2/c1-6-2-3(4)5/h2H2,1H3,(H2,4,5)
• InChIKey: MTEZLAATISORQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxyacetamide
• IUPAC Traditional name: 2-methoxyacetamide
• Synonyms: 2-methoxyacetamide

Database IDs

• MDL Number: MFCD00025517
• PubChem SID: 164306826
• PubChem CID: 140060

CALCULATED PROPERTIES

• Acid pKa: 15.814531
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2044098
• LogD (pH = 7.4): -1.2044098
• Log P: -1.2044098
• Molar Refractivity: 20.9193 cm^3
• Polarizability: 8.233633 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 86 - 88°C
• Hydrophobicity(logP): -1.306

Product Information

• Purity: 95%