yttrium(3+) ion tris(naphthalene-1-carboxylate)

• ChemBase ID: 303418
• Molecular Formular: C33H21O6Y
• Molecular Mass: 602.42209
• Monoisotopic Mass: 602.03966139
• SMILES: c1ccc2c(c1)cccc2C(=O)[O-].c1ccc2c(c1)cccc2C(=O)[O-].c1ccc2c(c1)cccc2C(=O)[O-].[Y+3]
• Canonical SMILES: [O-]C(=O)c1cccc2c1cccc2.[O-]C(=O)c1cccc2c1cccc2.[O-]C(=O)c1cccc2c1cccc2.[Y+3]
• InChI: InChI=1S/3C11H8O2.Y/c3*12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;/h3*1-7H,(H,12,13);/q;;;+3/p-3
• InChIKey: ZDLZKHLDCVDPSE-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: yttrium(3+) ion tris(naphthalene-1-carboxylate)
• IUPAC Traditional name: yttrium(3+) ion tris(1-naphthoate)
• Synonyms: Yttrium(III) naphthoate; 萘酸钇(III)

Database IDs

• MDL Number: MFCD00070442

CALCULATED PROPERTIES

• LogD (pH = 7.4): -0.711138
• Log P: 2.6203055
• Molar Refractivity: 60.6015 cm^3
• Polarizability: 20.102451 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false
• Acid pKa: 3.6324365
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.7562483

PROPERTIES

Physical Property

• Apperance: Powder
• Boiling Point: 250°C dec.

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A