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Molecule
ID:109481
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₄H₂O₄Pb
Molecular Mass
321.25628
Exact Mass
321.97196054
Charge
0
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/b2-1-;
InChIKey
JJWLMSCSLRJSAN-ODZAUARKSA-L
Canonic Smiles
O=C1O[Pb]OC(=O)C=C1
Isomeric Smiles
O=C1O[Pb]OC(=O)C=C1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.063
LogD (pH = 7.4)
0.063
Log P
0.063
Molar Refractivity
24.3518
Polarizability
17.515047
Polar Surface Area
52.6
Rotatable Bonds
0
Lipinski's Rule of Five
true
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Data Source
Academic Data
PubChem
16701013
Commercial Catalog
MP Biomedicals
05211205
Names and Identifiers
IUPAC Traditional name
1,3-dioxa-2-plumbacyclohept-5-ene-4,7-dione
Synonyms
LEAD MALEATE
IUPAC name
1,3-dioxa-2-plumbacyclohept-5-ene-4,7-dione
Registration numbers
CAS Number
28957-52-0
PubChem SID
162095220
PubChem CID
16701013
Properties
Safety Information
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Product Information
Certificate of Analysis
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Molecule Details
MP Biomedicals
05211205
MP Biomedicals Rare Chemical collection
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay