N-(7-hydroxynaphthalen-1-yl)acetamide

• ChemBase ID: 798204
• Molecular Formular: C12H11NO2
• Molecular Mass: 201.22124
• Monoisotopic Mass: 201.0789786
• SMILES: c1(cc2c(cc1)cccc2NC(=O)C)O
• Canonical SMILES: CC(=O)Nc1cccc2c1cc(O)cc2
• InChI: InChI=1S/C12H11NO2/c1-8(14)13-12-4-2-3-9-5-6-10(15)7-11(9)12/h2-7,15H,1H3,(H,13,14)
• InChIKey: ALNWQAFPXMGLTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(7-hydroxynaphthalen-1-yl)acetamide
• IUPAC Traditional name: N-(7-hydroxynaphthalen-1-yl)acetamide
• Synonyms: 1-acetamido-7-hydroxyNaphthalene

Database IDs

• CAS Number: 6470-18-4

CALCULATED PROPERTIES

• Acid pKa: 9.708723
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.8968409
• LogD (pH = 7.4): 1.8947524
• Log P: 1.8968676
• Molar Refractivity: 59.3521 cm^3
• Polarizability: 23.332035 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%