acetic acid zirconium

• ChemBase ID: 111612
• Molecular Formular: C2H4O2Zr
• Molecular Mass: 151.27596
• Monoisotopic Mass: 149.92583337
• SMILES: [Zr].CC(=O)O
• Canonical SMILES: CC(=O)O.[Zr]
• InChI: InChI=1S/C2H4O2.Zr/c1-2(3)4;/h1H3,(H,3,4)
• InChIKey: BNUDRLITYNMTPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: acetic acid zirconium
• IUPAC Traditional name: acetic acid zirconium
• Synonyms: ZIRCONIUM ACETATE, DRY

Database IDs

• CAS Number: 7585-20-8
• PubChem SID: 162096873
• PubChem CID: 24190853

CALCULATED PROPERTIES

• Acid pKa: 4.54344
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2242727
• LogD (pH = 7.4): -2.9968748
• Log P: -0.22334571
• Molar Refractivity: 12.6437 cm^3
• Polarizability: 5.030792 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05220020

MP Biomedicals Rare Chemical collection