sodium naphthalen-3-id-2-yl

• ChemBase ID: 129541
• Molecular Formular: C10H6Na
• Molecular Mass: 149.14441
• Monoisotopic Mass: 149.03671947
• SMILES: c1ccc2cc[c-]cc2c1.[Na+]
• Canonical SMILES: c1[c-]cc2c(c1)cccc2.[Na+]
• InChI: InChI=1S/C10H6.Na/c1-2-6-10-8-4-3-7-9(10)5-1;/h1-2,5-8H;/q-1;+1
• InChIKey: XLPXEZJXHFIHDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium naphthalen-3-id-2-yl
• IUPAC Systematic name: Sodium naphthalen-1-ide
• IUPAC Traditional name: sodium naphthalen-3-id-2-yl
• Synonyms: Sodium naphthalenide

Database IDs

• EC Number: 222-460-3
• PubChem SID: 162223833
• PubChem CID: 71308273; 11829632
• Chemspider ID: 10004279
• Wikipedia Title: Sodium_naphthalenide

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.3666
• LogD (pH = 7.4): 2.3666
• Log P: 2.7077
• Molar Refractivity: 42.2348 cm^3
• Polarizability: 17.240438 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true