Compound Summary for: CID 159765

Molecular Formula: C14H10O6Pb   Molecular Weight: 481.4256   InChIKey: CNVULGHYDPMIHD-UHFFFAOYSA-L
Compound Information
CID 159765
Create Date: 2005-08-09
Suppressed Compound
Properties and Descriptors
Properties
Molecular Weight 481.4256 [g/mol]
Molecular FormulaC14H10O6Pb
H-Bond Donor2
H-Bond Acceptor6
Rotatable Bond Count0
Exact Mass482.02439
MonoIsotopic Mass482.02439
Topological Polar Surface Area121
Heavy Atom Count21
Formal Charge0
Complexity127
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Descriptors
IUPAC Name2-hydroxybenzoate;lead(2+)
InChIInChI=1S/2C7H6O3.Pb/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2
InChIKeyCNVULGHYDPMIHD-UHFFFAOYSA-L
Canonical SMILESC1=CC=C(C(=C1)C(=O)[O-])O.C1=CC=C(C(=C1)C(=O)[O-])O.[Pb+2]
Isomeric SMILESC1=CC=C(C(=C1)C(=O)[O-])O.C1=CC=C(C(=C1)C(=O)[O-])O.[Pb+2]
Old Version Substance Information