quinolin-3-ol

• ChemBase ID: 67475
• Molecular Formular: C9H7NO
• Molecular Mass: 145.15798
• Monoisotopic Mass: 145.05276385
• SMILES: n1cc(cc2ccccc12)O
• Canonical SMILES: Oc1cnc2c(c1)cccc2
• InChI: InChI=1S/C9H7NO/c11-8-5-7-3-1-2-4-9(7)10-6-8/h1-6,11H
• InChIKey: IQQDNMHUOLMLNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinolin-3-ol
• IUPAC Traditional name: 3-quinolinol
• Synonyms: 3-Hydroxyquinoline

Database IDs

• CAS Number: 580-18-7
• MDL Number: MFCD00169018
• PubChem SID: 162033210
• PubChem CID: 11376

CALCULATED PROPERTIES

• Acid pKa: 9.670687
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7964933
• LogD (pH = 7.4): 1.8246194
• Log P: 1.8273351
• Molar Refractivity: 41.9602 cm^3
• Polarizability: 17.594162 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%