1,3-dioxa-2-strontacyclopentane-4,5-dione

• ChemBase ID: 139303
• Molecular Formular: C2O4Sr
• Molecular Mass: 175.639
• Monoisotopic Mass: 175.88527048
• SMILES: C1(=O)C(=O)O[Sr]O1
• Canonical SMILES: O=C1O[Sr]OC1=O
• InChI: InChI=1S/C2H2O4.Sr/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2
• InChIKey: KQAGKTURZUKUCH-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dioxa-2-strontacyclopentane-4,5-dione
• IUPAC Traditional name: strontium oxalate
• Synonyms: Strontium oxalate; 草酸锶

Database IDs

• CAS Number: 814-95-9
• EC Number: 212-415-6
• MDL Number: MFCD00050803
• PubChem SID: 162233551; 24880716
• PubChem CID: 16212826

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0814
• LogD (pH = 7.4): 1.0814
• Log P: 1.0814
• Molar Refractivity: 12.5834 cm^3
• Polarizability: 9.911606 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

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

Product Information

• Purity: 99.999% trace metals basis
• Linear Formula: SrC2O4

DETAILS

Sigma Aldrich - 574163

Packaging
15 g in glass bottle