dipotassium naphthalene-2,6-dicarboxylate

• ChemBase ID: 147446
• Molecular Formular: C12H6K2O4
• Molecular Mass: 292.37024
• Monoisotopic Mass: 291.95402203
• SMILES: c1cc(cc2c1cc(cc2)C(=O)[O-])C(=O)[O-].[K+].[K+]
• Canonical SMILES: [O-]C(=O)c1ccc2c(c1)ccc(c2)C(=O)[O-].[K+].[K+]
• InChI: InChI=1S/C12H8O4.2K/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9;;/h1-6H,(H,13,14)(H,15,16);;/q;2*+1/p-2
• InChIKey: QAYXDWGFSMUTBJ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dipotassium naphthalene-2,6-dicarboxylate
• IUPAC Traditional name: dipotassium naphthalene-2,6-dicarboxylate
• Synonyms: 2,6-Naphthalenedicarboxylic acid dipotassium salt; 2,6-萘二羧酸 二钾盐

Database IDs

• CAS Number: 2666-06-0
• MDL Number: MFCD00064187
• PubChem SID: 162241634; 24853920
• PubChem CID: 14550005

CALCULATED PROPERTIES

• Acid pKa: 3.686706
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.76251936
• LogD (pH = 7.4): -4.052413
• Log P: 2.2778883
• Molar Refractivity: 78.6948 cm^3
• Polarizability: 22.30338 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95%
• Linear Formula: C10H6(CO2K)2

DETAILS

Sigma Aldrich - 232645

Packaging
25 g in poly bottle
5 g in glass bottle