7-hydroxynaphthalene-1,3-disulfonic acid

• ChemBase ID: 798093
• Molecular Formular: C10H8O7S2
• Molecular Mass: 304.29632
• Monoisotopic Mass: 303.9711446
• SMILES: c1(cc2c(cc1)cc(cc2S(=O)(=O)O)S(=O)(=O)O)O
• Canonical SMILES: Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O
• InChI: InChI=1S/C10H8O7S2/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17/h1-5,11H,(H,12,13,14)(H,15,16,17)
• InChIKey: DOBIZWYVJFIYOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-hydroxynaphthalene-1,3-disulfonic acid
• IUPAC Traditional name: 2-naphthol-6,8-disulfonic acid
• Synonyms: 7-hydroxyNaphthalene-1,3-disulfonic acid

Database IDs

• CAS Number: 118-32-1

CALCULATED PROPERTIES

• Acid pKa: -2.8664334
• H Acceptors: 7
• H Donor: 3
• LogD (pH = 5.5): -3.7318509
• LogD (pH = 7.4): -3.7339318
• Log P: 1.0209707
• Molar Refractivity: 65.7341 cm^3
• Polarizability: 27.74748 Å^3
• Polar Surface Area: 128.97 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%