8-hydroxyquinoline-7-carbaldehyde

• ChemBase ID: 287020
• Molecular Formular: C10H7NO2
• Molecular Mass: 173.16808
• Monoisotopic Mass: 173.04767847
• SMILES: O=Cc1ccc2cccnc2c1O
• Canonical SMILES: O=Cc1ccc2c(c1O)nccc2
• InChI: InChI=1S/C10H7NO2/c12-6-8-4-3-7-2-1-5-11-9(7)10(8)13/h1-6,13H
• InChIKey: HGNLFMRNEFPDHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-hydroxyquinoline-7-carbaldehyde
• IUPAC Traditional name: 8-hydroxyquinoline-7-carbaldehyde
• Synonyms: 8-Hydroxyquinoline-7-carbaldehyde

Database IDs

• CAS Number: 5683-78-3
• PubChem SID: 180672551
• PubChem CID: 265830

CALCULATED PROPERTIES

• Acid pKa: 8.043689
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.184583
• LogD (pH = 7.4): 2.1012058
• Log P: 2.1898375
• Molar Refractivity: 48.5442 cm^3
• Polarizability: 19.454216 Å^3
• Polar Surface Area: 50.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%