sodium hydroxy carbonate

• ChemBase ID: 129546
• Molecular Formular: CHNaO4
• Molecular Mass: 100.00601
• Monoisotopic Mass: 99.97725279
• SMILES: [Na+].[O-]C(=O)OO
• Canonical SMILES: [O-]C(=O)OO.[Na+]
• InChI: InChI=1S/CH2O4.Na/c2-1(3)5-4;/h4H,(H,2,3);/q;+1/p-1
• InChIKey: MWNQXXOSWHCCOZ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium hydroxy carbonate
• IUPAC Traditional name: sodium hydroxy carbonate
• Synonyms: sodium carbonate sesquiperhydrate; PCe; solid hydrogen peroxide; Sodium carbonate hydrogen peroxide; sodium carbonate peroxyhydrate; Sodium percarbonate

Database IDs

• CAS Number: 15630-89-4
• EC Number: 239-707-6
• PubChem SID: 162223838
• PubChem CID: 23709420; 159762
• Chemspider ID: 13399092
• Wikipedia Title: Sodium_percarbonate

CALCULATED PROPERTIES

• Acid pKa: 5.7785006
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.014130136
• LogD (pH = 7.4): -1.4277596
• Log P: 0.16908763
• Molar Refractivity: 21.9723 cm^3
• Polarizability: 4.7258406 Å^3
• Polar Surface Area: 69.59 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 150 g/l in water
• Apperance: white solid
• Flash Point: Non-flammable

Safety Information

• EU Index: Not listed
• Main Hazard: Irritant, Oxidizer