calcium dihydrogen sulfite

• ChemBase ID: 126330
• Molecular Formular: CaH2O6S2
• Molecular Mass: 202.22028
• Monoisotopic Mass: 201.89187076
• SMILES: OS(=O)[O-].OS(=O)[O-].[Ca+2]
• Canonical SMILES: [O-]S(=O)O.[O-]S(=O)O.[Ca+2]
• InChI: InChI=1S/Ca.2H2O3S/c;2*1-4(2)3/h;2*(H2,1,2,3)/q+2;;/p-2
• InChIKey: LVGQIQHJMRUCRM-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium dihydrogen sulfite
• IUPAC Traditional name: calcium dibisulfite
• Synonyms: Calcium bisulphite; E227; Calcium bisulfite

Database IDs

• CAS Number: 13780-03-5
• PubChem SID: 162220668
• PubChem CID: 26268
• Chemspider ID: 24475
• Wikipedia Title: Calcium_bisulfite

CALCULATED PROPERTIES

• Acid pKa: -3.669346
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4606745
• LogD (pH = 7.4): -3.4734561
• Log P: -1.1546873
• Molar Refractivity: 11.2062 cm^3
• Polarizability: 5.44399 Å^3
• Polar Surface Area: 60.36 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: EV9294500