lithium(1+) ion hydrogen oxalate

• ChemBase ID: 110505
• Molecular Formular: C2HLiO4
• Molecular Mass: 95.96794
• Monoisotopic Mass: 96.00348806
• SMILES: [Li+].OC(=O)C(=O)[O-]
• Canonical SMILES: OC(=O)C(=O)[O-].[Li+]
• InChI: InChI=1S/C2H2O4.Li/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+1/p-1
• InChIKey: DXUUIDJNCBRHDV-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion hydrogen oxalate
• IUPAC Traditional name: LithoTab hydrogen oxalate
• Synonyms: LITHIUM OXALATE

Database IDs

• CAS Number: 30903-87-8
• PubChem SID: 162095881
• PubChem CID: 23674799

CALCULATED PROPERTIES

• Acid pKa: 1.3639908
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -5.101814
• LogD (pH = 7.4): -6.8848467
• Log P: -0.26375157
• Molar Refractivity: 25.2757 cm^3
• Polarizability: 5.748779 Å^3
• Polar Surface Area: 77.43 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• Risk Statements: R:14/15-34
• Safety Statements: S:8-45

DETAILS

MP Biomedicals - 05215314

MP Biomedicals Rare Chemical collection