cadmium(2+) ion dipropanoate

• ChemBase ID: 109007
• Molecular Formular: C6H10CdO4
• Molecular Mass: 258.5522
• Monoisotopic Mass: 259.9612668
• SMILES: [Cd+2].CCC(=O)[O-].CCC(=O)[O-]
• Canonical SMILES: CCC(=O)[O-].CCC(=O)[O-].[Cd+2]
• InChI: InChI=1S/2C3H6O2.Cd/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2
• InChIKey: JTZFNJUMDPPGBY-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: cadmium(2+) ion dipropanoate
• IUPAC Traditional name: cadmium(2+) dipropionate
• Synonyms: CADMIUM PROPIONATE ANHYDROUS

Database IDs

• CAS Number: 16986-83-7
• PubChem SID: 162094781
• PubChem CID: 197953

CALCULATED PROPERTIES

• Acid pKa: 4.754671
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.3392157
• LogD (pH = 7.4): -2.115821
• Log P: 0.47719014
• Molar Refractivity: 28.1077 cm^3
• Polarizability: 6.7159452 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05209512

MP Biomedicals Rare Chemical collection