potassium 6-hydroxynaphthalene-2-sulfonate

• ChemBase ID: 287203
• Molecular Formular: C10H7KO4S
• Molecular Mass: 262.32348
• Monoisotopic Mass: 261.97021138
• SMILES: O=S(=O)(c1ccc2cc(O)ccc2c1)[O-].[K+]
• Canonical SMILES: Oc1ccc2c(c1)ccc(c2)S(=O)(=O)[O-].[K+]
• InChI: InChI=1S/C10H8O4S.K/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9;/h1-6,11H,(H,12,13,14);/q;+1/p-1
• InChIKey: PZWWSVPMGHDZNJ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium 6-hydroxynaphthalene-2-sulfonate
• IUPAC Traditional name: potassium 6-hydroxynaphthalene-2-sulfonate
• Synonyms: Potassium 6-hydroxynaphthalene-2-sulfonate

Database IDs

• CAS Number: 833-66-9
• MDL Number: MFCD06797149
• PubChem SID: 180672734
• PubChem CID: 23677963

CALCULATED PROPERTIES

• Acid pKa: -2.038457
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.53635466
• LogD (pH = 7.4): -0.53814214
• Log P: 1.8400639
• Molar Refractivity: 53.9899 cm^3
• Polarizability: 22.918016 Å^3
• Polar Surface Area: 77.43 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%