2-(3,4-dimethoxyphenyl)-N-hydroxyacetamide

• ChemBase ID: 262499
• Molecular Formular: C10H13NO4
• Molecular Mass: 211.21452
• Monoisotopic Mass: 211.0844579
• SMILES: c1(c(ccc(c1)CC(=O)NO)OC)OC
• Canonical SMILES: ONC(=O)Cc1ccc(c(c1)OC)OC
• InChI: InChI=1S/C10H13NO4/c1-14-8-4-3-7(5-9(8)15-2)6-10(12)11-13/h3-5,13H,6H2,1-2H3,(H,11,12)
• InChIKey: JMWDSMZLYCAHKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dimethoxyphenyl)-N-hydroxyacetamide
• IUPAC Traditional name: 2-(3,4-dimethoxyphenyl)-N-hydroxyacetamide
• Synonyms: 2-(3,4-dimethoxyphenyl)-N-hydroxyacetamide

Database IDs

• MDL Number: MFCD01861466
• PubChem SID: 164318409
• PubChem CID: 24691466

CALCULATED PROPERTIES

• Acid pKa: 8.859242
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.48533827
• LogD (pH = 7.4): 0.47076923
• Log P: 0.48552725
• Molar Refractivity: 53.8788 cm^3
• Polarizability: 20.9263 Å^3
• Polar Surface Area: 67.79 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.0020

Product Information

• Purity: 95%