6-hydroxyquinoline-2-carboxylic acid

• ChemBase ID: 802798
• Molecular Formular: C10H7NO3
• Molecular Mass: 189.16748
• Monoisotopic Mass: 189.04259309
• SMILES: c1cc2c(cc1O)ccc(n2)C(=O)O
• Canonical SMILES: Oc1ccc2c(c1)ccc(n2)C(=O)O
• InChI: InChI=1S/C10H7NO3/c12-7-2-4-8-6(5-7)1-3-9(11-8)10(13)14/h1-5,12H,(H,13,14)
• InChIKey: KVQARDYXZJGMFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-hydroxyquinoline-2-carboxylic acid
• IUPAC Traditional name: 6-hydroxyquinoline-2-carboxylic acid
• Synonyms: 6-HYDROXYQUINOLINE-2-CARBOXYLIC ACID

Database IDs

• CAS Number: 75434-18-3

CALCULATED PROPERTIES

• Acid pKa: 1.1779826
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.06460781
• LogD (pH = 7.4): -1.3914286
• Log P: 0.6629906
• Molar Refractivity: 48.8444 cm^3
• Polarizability: 19.876276 Å^3
• Polar Surface Area: 70.42 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%