3-hydroxynaphthalene-2,7-disulfonic acid

• ChemBase ID: 798108
• Molecular Formular: C10H8O7S2
• Molecular Mass: 304.29632
• Monoisotopic Mass: 303.9711446
• SMILES: c1(cc2c(cc1)cc(c(c2)S(=O)(=O)O)O)S(=O)(=O)O
• Canonical SMILES: Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O
• InChI: InChI=1S/C10H8O7S2/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17/h1-5,11H,(H,12,13,14)(H,15,16,17)
• InChIKey: USWINTIHFQKJTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 148-75-4

CALCULATED PROPERTIES

• Acid pKa: -2.8911011
• H Acceptors: 7
• H Donor: 3
• LogD (pH = 5.5): -3.081825
• LogD (pH = 7.4): -3.081867
• Log P: 1.6709707
• Molar Refractivity: 65.7341 cm^3
• Polarizability: 27.745195 Å^3
• Polar Surface Area: 128.97 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%