potassium 7-hydroxynaphthalene-1-sulfonate

• ChemBase ID: 294301
• Molecular Formular: C10H7KO4S
• Molecular Mass: 262.32348
• Monoisotopic Mass: 261.97021138
• SMILES: O=S(=O)(c1c2cc(O)ccc2ccc1)[O-].[K+]
• Canonical SMILES: Oc1ccc2c(c1)c(ccc2)S(=O)(=O)[O-].[K+]
• InChI: InChI=1S/C10H8O4S.K/c11-8-5-4-7-2-1-3-10(9(7)6-8)15(12,13)14;/h1-6,11H,(H,12,13,14);/q;+1/p-1
• InChIKey: UZBFJXMJCARTGH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium 7-hydroxynaphthalene-1-sulfonate
• IUPAC Traditional name: potassium 7-hydroxynaphthalene-1-sulfonate
• Synonyms: Potassium 7-hydroxynaphthalene-1-sulfonate

Database IDs

• CAS Number: 30252-40-5
• MDL Number: MFCD00065327
• PubChem SID: 180679832
• PubChem CID: 23663680

CALCULATED PROPERTIES

• Acid pKa: -2.0063152
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.5363578
• LogD (pH = 7.4): -0.5384109
• Log P: 1.8400639
• Molar Refractivity: 53.9899 cm^3
• Polarizability: 22.920933 Å^3
• Polar Surface Area: 77.43 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%