2-(2-formylphenoxy)-N-methylacetamide

• ChemBase ID: 262984
• Molecular Formular: C10H11NO3
• Molecular Mass: 193.19924
• Monoisotopic Mass: 193.07389322
• SMILES: C(=O)(COc1c(C=O)cccc1)NC
• Canonical SMILES: CNC(=O)COc1ccccc1C=O
• InChI: InChI=1S/C10H11NO3/c1-11-10(13)7-14-9-5-3-2-4-8(9)6-12/h2-6H,7H2,1H3,(H,11,13)
• InChIKey: XGBGUOKFVIRIKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-formylphenoxy)-N-methylacetamide
• IUPAC Traditional name: 2-(2-formylphenoxy)-N-methylacetamide
• Synonyms: 2-(2-formylphenoxy)-N-methylacetamide

Database IDs

• MDL Number: MFCD11149391
• PubChem SID: 164318894
• PubChem CID: 28561351

CALCULATED PROPERTIES

• Acid pKa: 14.767204
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.42279366
• LogD (pH = 7.4): 0.42279363
• Log P: 0.42279366
• Molar Refractivity: 51.9087 cm^3
• Polarizability: 19.65521 Å^3
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.54

Product Information

• Purity: 95%