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

• ChemBase ID: 150653
• Molecular Formular: C6H2Ce2O13
• Molecular Mass: 562.30428
• Monoisotopic Mass: 561.76041612
• SMILES: C1(=O)C(=O)O[Ce](O1)OC(=O)C(=O)O[Ce]1OC(=O)C(=O)O1.O
• Canonical SMILES: O=C(C(=O)O[Ce]1OC(=O)C(=O)O1)O[Ce]1OC(=O)C(=O)O1.O
• InChI: InChI=1S/3C2H2O4.2Ce.H2O/c3*3-1(4)2(5)6;;;/h3*(H,3,4)(H,5,6);;;1H2/q;;;2*+3;/p-6
• InChIKey: WSVMKOQJZBJDJB-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(dioxo-1,3-dioxa-2-ceracyclopentan-2-yl) oxalate hydrate
• IUPAC Traditional name: bis(dioxo-1,3-dioxa-2-ceracyclopentan-2-yl) oxalate hydrate
• Synonyms: Cerium oxalate nonahydrate; Cerium(III) oxalate hydrate; 草酸铈(III) 水合物

Database IDs

• CAS Number: 15750-47-7
• EC Number: 205-362-5
• MDL Number: MFCD00150139
• PubChem SID: 162244814; 24859515; 24880701
• PubChem CID: 71311480

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: 28.926144 Å^3
• Polar Surface Area: 157.8 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: powder

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 21/22
• Safety Statements: 24/25
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312
• GHS Precautionary statements: P280

Product Information

• Purity: 99.9% trace metals basis; 99.999% trace metals basis
• Compostion: Degree of hydration, ~9
• Linear Formula: Ce2(C2O4)3 · xH2O

DETAILS

Sigma Aldrich - 325511

Packaging
50, 250 g in glass bottle

Sigma Aldrich - 574015

Packaging
50 g in glass bottle