2-[(2-oxo-2H-chromen-7-yl)oxy]acetamide

• ChemBase ID: 184303
• Molecular Formular: C11H9NO4
• Molecular Mass: 219.19346
• Monoisotopic Mass: 219.05315777
• SMILES: o1c2c(ccc1=O)ccc(c2)OCC(=O)N
• Canonical SMILES: NC(=O)COc1ccc2c(c1)oc(=O)cc2
• InChI: InChI=1S/C11H9NO4/c12-10(13)6-15-8-3-1-7-2-4-11(14)16-9(7)5-8/h1-5H,6H2,(H2,12,13)
• InChIKey: OZFYKUOQYUNFEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-oxo-2H-chromen-7-yl)oxy]acetamide
• IUPAC Traditional name: 2-[(2-oxochromen-7-yl)oxy]acetamide

Database IDs

• PubChem SID: 164240213
• PubChem CID: 721078

CALCULATED PROPERTIES

• Acid pKa: 14.921818
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.29672906
• LogD (pH = 7.4): 0.29672906
• Log P: 0.29672906
• Molar Refractivity: 55.9186 cm^3
• Polarizability: 21.318283 Å^3
• Polar Surface Area: 78.62 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds