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

• ChemBase ID: 146830
• Molecular Formular: C6H2O13Tm2
• Molecular Mass: 619.9407
• Monoisotopic Mass: 619.81796612
• SMILES: C1(=O)C(=O)O[Tm](O1)OC(=O)C(=O)O[Tm]1OC(=O)C(=O)O1.O
• Canonical SMILES: O=C(C(=O)O[Tm]1OC(=O)C(=O)O1)O[Tm]1OC(=O)C(=O)O1.O
• InChI: InChI=1S/3C2H2O4.H2O.2Tm/c3*3-1(4)2(5)6;;;/h3*(H,3,4)(H,5,6);1H2;;/q;;;;2*+3/p-6
• InChIKey: DUELVSSHRTZSBY-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 58176-73-1
• EC Number: 221-887-2
• MDL Number: MFCD00150492
• PubChem SID: 162241022; 24870109
• PubChem CID: 16213071

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: 30.850477 Å^3
• Polar Surface Area: 157.8 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

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
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99.99%
• Linear Formula: Tm2(C2O4)3 · xH2O

DETAILS

Sigma Aldrich - 463868

Packaging
1 g in glass bottle