lithium(1+) ion 2-oxopropanoate

• ChemBase ID: 108926
• Molecular Formular: C3H3LiO3
• Molecular Mass: 93.99512
• Monoisotopic Mass: 94.02422351
• SMILES: [Li+].CC(=O)C(=O)[O-]
• Canonical SMILES: CC(=O)C(=O)[O-].[Li+]
• InChI: InChI=1S/C3H4O3.Li/c1-2(4)3(5)6;/h1H3,(H,5,6);/q;+1/p-1
• InChIKey: OFJHGWPRBMPXCX-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion 2-oxopropanoate
• IUPAC Traditional name: LithoTab 2-oxopropanoate
• Synonyms: LITHIUM PYRUVATE HYDRATE

Database IDs

• CAS Number: 2922-61-4
• PubChem SID: 162094941
• PubChem CID: 23663618

CALCULATED PROPERTIES

• Acid pKa: 2.9301233
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.4600048
• LogD (pH = 7.4): -3.4164543
• Log P: 0.06587395
• Molar Refractivity: 28.8268 cm^3
• Polarizability: 6.905475 Å^3
• Polar Surface Area: 57.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05209254

MP Biomedicals Rare Chemical collection