sodium oxidanone

• ChemBase ID: 129560
• Molecular Formular: NaO2+
• Molecular Mass: 54.98857
• Monoisotopic Mass: 54.97959852
• SMILES: O=O.[Na+]
• Canonical SMILES: O=O.[Na+]
• InChI: InChI=1S/Na.O2/c;1-2/q+1
• InChIKey: ZBNMBCAMIKHDAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium oxidanone
• IUPAC Traditional name: sodium singlet oxygen
• Synonyms: sodium superoxide; Sodium superoxide

Database IDs

• CAS Number: 12034-12-7
• PubChem SID: 162223851
• PubChem CID: 61542
• Wikipedia Title: Sodium_superoxide

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.27723172
• LogD (pH = 7.4): -0.27723172
• Log P: -0.27723172
• Molar Refractivity: 2.8858 cm^3
• Polarizability: 1.478656 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Decomposes in water
• Apperance: Yellow crystalline solid
• Melting Point: 551.7 °C
• Boiling Point: Decomposes
• Flash Point: Non flammable
• Density: 2.2 g/cm^3
• pKb: N/A

Safety Information

• Risk Statements: R35
• Safety Statements: S1/2, S26, S37/39, S45
• NFPA704:
  

  0

  3

  1

  OX