$l^{2}-lead(2+) ion but-2-enedioate

• ChemBase ID: 112630
• Molecular Formular: C4H2O4Pb
• Molecular Mass: 321.25628
• Monoisotopic Mass: 321.97196054
• SMILES: [Pb+2].[O-]C(=O)/C=C/C(=O)[O-]
• Canonical SMILES: [O-]C(=O)/C=C/C(=O)[O-].[Pb+2]
• InChI: InChI=1S/C4H4O4.Pb/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+2/p-2
• InChIKey: JJWLMSCSLRJSAN-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: $l^{2}-lead(2+) ion but-2-enedioate
• IUPAC Traditional name: $l^{2}-lead(2+) ion butenedioate
• Synonyms: LEAD FUMARATE

Database IDs

• PubChem SID: 162106835
• PubChem CID: 6440947

CALCULATED PROPERTIES

• Acid pKa: 3.5457325
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.1057482
• LogD (pH = 7.4): -6.3127127
• Log P: -0.04091433
• Molar Refractivity: 46.2812 cm^3
• Polarizability: 8.887442 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05225050

MP Biomedicals Rare Chemical collection