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Dibasic Lead Phthalate

CAT: 0572-TRC-D417070-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D417070-1GSize:1 g
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CAS Number
17976-43-1
Synonyms
1,9-dihydro-1,9-dioxo2-,4,6,8,3,5,7-Benzotetraoxatriplumbacycloundecin-3,5,7-triylidene; Cyclo[μ-[1,2-benzenedicarboxylato(2-)-κO1:κO2]]di-μ-oxotri Lead; 3λ2,5λ2,7λ2-2,4,6,8,3,5,7-Benzotetraoxatriplumbacycloundecin-1,9-dione
Hazard Statement
May damage fertility or the unborn child; UN number: UN2291; Packing Group: III
Smiles
O=C1C2=C(C=CC=C2)C(O[Pb]O[Pb]O[Pb]O1)=O
Molecular Formula
C8H4O6Pb3
Molecular Weight
817.71
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Dibasic lead phthalate
CAS Number17976-43-1
PubChem CID16684029
IUPAC Name3,5,7,9-tetraoxa-4lambda2,6lambda2,8lambda2-triplumbabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,10-dione
Molecular FormulaC8H4O6Pb3
Molecular Weight8.2e+02
Topological Polar Surface Area71.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count17
Formal Charge0
Complexity271
SMILES
C1=CC=C2C(=C1)C(=O)O[Pb]O[Pb]O[Pb]OC2=O
InChI
InChI=1S/C8H6O4.2O.3Pb/c9-7(10)5-3-1-2-4-6(5)8(11)12;;;;;/h1-4H,(H,9,10)(H,11,12);;;;;/q;;;;2*+1/p-2
InChIKey
NKQZGKXBBHMXPR-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Dibasic lead phthalate
CAS: 17976-43-1
CID: 16684029
Formula: C8H4O6Pb3
MW: 8.2e+02
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight8.2e+02
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass817.92856
Monoisotopic Mass819.93074
Topological Polar Surface Area71.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity271
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes