$l^{2}-lead(2+) ion benzene-1,2-dicarboxylate

• ChemBase ID: 109794
• Molecular Formular: C8H4O4Pb
• Molecular Mass: 371.31496
• Monoisotopic Mass: 371.98761061
• SMILES: [Pb+2].[O-]C(=O)c1ccccc1C(=O)[O-]
• Canonical SMILES: [O-]C(=O)c1ccccc1C(=O)[O-].[Pb+2]
• InChI: InChI=1S/C8H6O4.Pb/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+2/p-2
• InChIKey: YJOMWQQKPKLUBO-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: $l^{2}-lead(2+) ion benzene-1,2-dicarboxylate
• IUPAC Traditional name: $l^{2}-lead(2+) ion phthalate
• Synonyms: LEAD PHTHALATE, DIBASIC

Database IDs

• CAS Number: 6838-85-3
• PubChem SID: 162095200
• PubChem CID: 85322

CALCULATED PROPERTIES

• Acid pKa: 2.9412112
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.533879
• LogD (pH = 7.4): -4.100739
• Log P: 1.2884116
• Molar Refractivity: 62.2446 cm^3
• Polarizability: 14.898578 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05212607

MP Biomedicals Rare Chemical collection