8-hydroxynaphthalene-1-sulfonic acid

• ChemBase ID: 798091
• Molecular Formular: C10H8O4S
• Molecular Mass: 224.23312
• Monoisotopic Mass: 224.01432974
• SMILES: c1c(c2c(cc1)cccc2O)S(=O)(=O)O
• Canonical SMILES: Oc1cccc2c1c(ccc2)S(=O)(=O)O
• InChI: InChI=1S/C10H8O4S/c11-8-5-1-3-7-4-2-6-9(10(7)8)15(12,13)14/h1-6,11H,(H,12,13,14)
• InChIKey: ZPLBZGGKAUXTRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-hydroxynaphthalene-1-sulfonic acid
• IUPAC Traditional name: 8-hydroxynaphthalene-1-sulfonic acid
• Synonyms: 1-hydroxyNaphthalene-8-sulfonic acid

Database IDs

• CAS Number: 117-22-6

CALCULATED PROPERTIES

• Acid pKa: -1.974174
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.53641534
• LogD (pH = 7.4): -0.5429551
• Log P: 1.8400639
• Molar Refractivity: 55.1116 cm^3
• Polarizability: 23.018658 Å^3
• Polar Surface Area: 74.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%