strontium(2+) ion bis(2-hydroxybenzoate)

• ChemBase ID: 108403
• Molecular Formular: C14H10O6Sr
• Molecular Mass: 361.8456
• Monoisotopic Mass: 361.95335004
• SMILES: [Sr+2].Oc1ccccc1C(=O)[O-].Oc1ccccc1C(=O)[O-]
• Canonical SMILES: [O-]C(=O)c1ccccc1O.[O-]C(=O)c1ccccc1O.[Sr+2]
• InChI: InChI=1S/2C7H6O3.Sr/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2
• InChIKey: BJTJYQIAHXROJC-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: strontium(2+) ion bis(2-hydroxybenzoate)
• IUPAC Traditional name: strontium(2+) bis(o-hydroxybenzoate)
• Synonyms: STRONTIUM SALICYLATE

Database IDs

• CAS Number: 526-26-1
• PubChem SID: 162094453
• PubChem CID: 54684619

CALCULATED PROPERTIES

• Acid pKa: 2.7897391
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6725287
• LogD (pH = 7.4): -1.5175761
• Log P: 1.9772635
• Molar Refractivity: 46.1322 cm^3
• Polarizability: 13.208861 Å^3
• Polar Surface Area: 60.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05207228

MP Biomedicals Rare Chemical collection