calcium palladium carbonate

• ChemBase ID: 77952
• Molecular Formular: CCaO3Pd
• Molecular Mass: 206.5069
• Monoisotopic Mass: 205.85082084
• SMILES: O=C([O-])[O-].[Pd].[Ca+2]
• Canonical SMILES: [O-]C(=O)[O-].[Ca+2].[Pd]
• InChI: InChI=1S/CH2O3.Ca.Pd/c2-1(3)4;;/h(H2,2,3,4);;/q;+2;/p-2
• InChIKey: ZYYXZPVKIGQVCS-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium palladium carbonate
• IUPAC Traditional name: calcium(2+) palladium CO3
• Synonyms: Palladium metal on calcium carbonate

Database IDs

• CAS Number: 7440-05-3
• PubChem SID: 162042793
• PubChem CID: 12000666

CALCULATED PROPERTIES

• Acid pKa: 6.0525417
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.142811
• LogD (pH = 7.4): -1.1138874
• Log P: 0.25005138
• Molar Refractivity: 31.1724 cm^3
• Polarizability: 3.6386902 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

DETAILS

Apollo Scientific Ltd - OR16593

Pd 5%