quinoline-4,7-diol

• ChemBase ID: 291793
• Molecular Formular: C9H7NO2
• Molecular Mass: 161.15738
• Monoisotopic Mass: 161.04767847
• SMILES: Oc1ccnc2cc(O)ccc12
• Canonical SMILES: Oc1ccc2c(c1)nccc2O
• InChI: InChI=1S/C9H7NO2/c11-6-1-2-7-8(5-6)10-4-3-9(7)12/h1-5,11H,(H,10,12)
• InChIKey: VJOPQSBUEFGOSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinoline-4,7-diol
• IUPAC Traditional name: quinoline-4,7-diol
• Synonyms: Quinoline-4,7-diol

Database IDs

• CAS Number: 955938-89-3
• MDL Number: MFCD09260461
• PubChem SID: 180677324
• PubChem CID: 39869818

CALCULATED PROPERTIES

• Acid pKa: 8.375032
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5218627
• LogD (pH = 7.4): 1.4803084
• Log P: 1.5237699
• Molar Refractivity: 43.9411 cm^3
• Polarizability: 18.151987 Å^3
• Polar Surface Area: 53.35 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%