indium(3+) ion tris((2Z)-4-oxopent-2-en-2-olate)

• ChemBase ID: 110072
• Molecular Formular: C15H21InO6
• Molecular Mass: 412.14164
• Monoisotopic Mass: 412.03769139
• SMILES: [In+3].CC(=O)/C=C(/C)\[O-].CC(=O)/C=C(/C)\[O-].CC(=O)/C=C(/C)\[O-]
• Canonical SMILES: [O-]/C(=C\C(=O)C)/C.[O-]/C(=C\C(=O)C)/C.[O-]/C(=C\C(=O)C)/C.[In+3]
• InChI: InChI=1S/3C5H8O2.In/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3
• InChIKey: SKWCWFYBFZIXHE-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: indium(3+) ion tris((2Z)-4-oxopent-2-en-2-olate); indium(3+) ion tris(4-oxopent-2-en-2-olate)
• IUPAC Traditional name: indium(3+) ion tris((2Z)-4-oxopent-2-en-2-olate); indium(3+) tris(4-oxopent-2-en-2-olate)
• Synonyms: Indium(III) acetylacetonate; Indium(III) 2,4-pentanedionate; INDIUM ACETYLACETONATE; 乙酰丙酮铟

Database IDs

• CAS Number: 14405-45-9
• EC Number: 238-378-6
• MDL Number: MFCD00013494
• PubChem SID: 162096356
• PubChem CID: 6433601

CALCULATED PROPERTIES

• Acid pKa: 9.890059
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.34448203
• LogD (pH = 7.4): 0.34309724
• Log P: 0.3444997
• Molar Refractivity: 39.1896 cm^3
• Polarizability: 10.113493 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in benzene
• Apperance: Powder
• Melting Point: 186°C dec.

Safety Information

• RTECS: NL2025000
• TSCA Listed: 是

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05213645

MP Biomedicals Rare Chemical collection