quinolin-7-ol

• ChemBase ID: 10728
• Molecular Formular: C9H7NO
• Molecular Mass: 145.15798
• Monoisotopic Mass: 145.05276385
• SMILES: c1c(cc2c(c1)cccn2)O
• Canonical SMILES: Oc1ccc2c(c1)nccc2
• InChI: InChI=1S/C9H7NO/c11-8-4-3-7-2-1-5-10-9(7)6-8/h1-6,11H
• InChIKey: XCRPPAPDRUBKRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinolin-7-ol
• IUPAC Traditional name: 7-hydroxyquinoline
• Synonyms: 7-Hydroxyquinoline; Quinolin-7-ol; 7-Hydroxyquinoline

Database IDs

• CAS Number: 580-20-1
• EC Number: 209-457-2
• MDL Number: MFCD00016730
• PubChem SID: 160974035
• PubChem CID: 11378

CALCULATED PROPERTIES

• Acid pKa: 8.817499
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.732021
• LogD (pH = 7.4): 1.8091414
• Log P: 1.8273351
• Molar Refractivity: 41.9602 cm^3
• Polarizability: 17.592653 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 239°C
• Partition Coefficient: 1.837

Safety Information

• Storage Warning: IRRITANT
• RTECS: VC4160000
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%; 98%