sodium 2-(6-methoxynaphthalen-2-yl)propanoate

• ChemBase ID: 106197
• Molecular Formular: C14H13NaO3
• Molecular Mass: 252.24099
• Monoisotopic Mass: 252.07623856
• SMILES: [Na+].COc1cc2ccc(cc2cc1)C(C)C(=O)[O-]
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C(C(=O)[O-])C.[Na+]
• InChI: InChI=1S/C14H14O3.Na/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10;/h3-9H,1-2H3,(H,15,16);/q;+1/p-1
• InChIKey: CDBRNDSHEYLDJV-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 2-(6-methoxynaphthalen-2-yl)propanoate
• IUPAC Traditional name: potassium 2-(6-methoxynaphthalen-2-yl)propanoate
• Synonyms: NAPROXEN SODIUM SALT, U.S.P.

Database IDs

• CAS Number: 26159-34-2
• PubChem SID: 162087200
• PubChem CID: 1301

CALCULATED PROPERTIES

• Acid pKa: 4.1903534
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6579665
• LogD (pH = 7.4): -0.054211214
• Log P: 2.985786
• Molar Refractivity: 75.6906 cm^3
• Polarizability: 26.28034 Å^3
• Polar Surface Area: 49.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: QJ1047000

Product Information

• Grade: USP