bis(dioxo-1,3-dioxa-2-yttracyclopentan-2-yl) oxalate hydrate

• ChemBase ID: 138549
• Molecular Formular: C6H2O13Y2
• Molecular Mass: 459.88398
• Monoisotopic Mass: 459.76123612
• SMILES: C1(=O)C(=O)O[Y](O1)OC(=O)C(=O)O[Y]1OC(=O)C(=O)O1.O
• Canonical SMILES: O=C(C(=O)O[Y]1OC(=O)C(=O)O1)O[Y]1OC(=O)C(=O)O1.O
• InChI: InChI=1S/3C2H2O4.H2O.2Y/c3*3-1(4)2(5)6;;;/h3*(H,3,4)(H,5,6);1H2;;/q;;;;2*+3/p-6
• InChIKey: NRMHTSMZQQFBRX-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(dioxo-1,3-dioxa-2-yttracyclopentan-2-yl) oxalate hydrate
• IUPAC Traditional name: bis(dioxo-1,3-dioxa-2-yttracyclopentan-2-yl) oxalate hydrate
• Synonyms: Yttrium(III) oxalate hydrate; 草酸钇(III) 水合物

Database IDs

• CAS Number: 252900-41-7
• MDL Number: MFCD00150500
• PubChem SID: 162232803
• PubChem CID: 71310154

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.1442
• LogD (pH = 7.4): 4.1442
• Log P: 4.1442
• Molar Refractivity: 37.7502 cm^3
• Polarizability: 25.620667 Å^3
• Polar Surface Area: 157.8 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >400 °C(lit.)
• Density: 2.51 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37
• Safety Statements: 26-36

Product Information

• Purity: 99.99%
• Linear Formula: Y2(C2O4)3 · xH2O

DETAILS

Sigma Aldrich - 480924

Packaging
50 g in glass bottle