7-hydroxyquinoline-3-carbaldehyde

• ChemBase ID: 309001
• Molecular Formular: C10H7NO2
• Molecular Mass: 173.16808
• Monoisotopic Mass: 173.04767847
• SMILES: n1c2cc(ccc2cc(c1)C=O)O
• Canonical SMILES: O=Cc1cnc2c(c1)ccc(c2)O
• InChI: InChI=1S/C10H7NO2/c12-6-7-3-8-1-2-9(13)4-10(8)11-5-7/h1-6,13H
• InChIKey: WOPDVNKZIDQIEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-hydroxyquinoline-3-carbaldehyde
• IUPAC Traditional name: 7-hydroxyquinoline-3-carbaldehyde
• Synonyms: 7-HYDROXYQUINOLINE-3-CARBALDEHYDE; 7-hydroxy-3-quinolinecarbaldehyde

Database IDs

• CAS Number: 363135-54-0
• MDL Number: MFCD10696340

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5324514
• LogD (pH = 7.4): 1.4835675
• Log P: 1.5398375
• Molar Refractivity: 48.5442 cm^3
• Polarizability: 19.44692 Å^3
• Polar Surface Area: 50.19 Å^2
• Acid pKa: 8.257759
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%