N-hydroxy-2-(naphthalen-2-yl)acetamide

• ChemBase ID: 262471
• Molecular Formular: C12H11NO2
• Molecular Mass: 201.22124
• Monoisotopic Mass: 201.0789786
• SMILES: C(=O)(Cc1cc2c(cc1)cccc2)NO
• Canonical SMILES: ONC(=O)Cc1ccc2c(c1)cccc2
• InChI: InChI=1S/C12H11NO2/c14-12(13-15)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,15H,8H2,(H,13,14)
• InChIKey: IYXUERDUKOVYLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hydroxy-2-(naphthalen-2-yl)acetamide
• IUPAC Traditional name: N-hydroxy-2-(naphthalen-2-yl)acetamide
• Synonyms: N-hydroxy-2-(naphthalen-2-yl)acetamide

Database IDs

• MDL Number: MFCD09928145
• PubChem SID: 164318381
• PubChem CID: 24689999

CALCULATED PROPERTIES

• Acid pKa: 8.859255
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.7901576
• LogD (pH = 7.4): 1.7755889
• Log P: 1.7903465
• Molar Refractivity: 57.4026 cm^3
• Polarizability: 23.355875 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 185 - 187°C
• Hydrophobicity(logP): 1.518

Product Information

• Purity: 95%