2-carboxybenzoate;thallium(1+)

C8H5O4Tl — CID 101403196

IUPAC2-carboxybenzoate;thallium(1+)
SMILESO=C([O-])c1ccccc1C(=O)O.[Tl+]
InChIInChI=1S/C8H6O4.Tl/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+1/p-1
InChIKeyDYFSNVWVAGIZTO-UHFFFAOYSA-M
MW369.51 g/mol
LogP-0.63
Rot. Bonds2

About 2-carboxybenzoate;thallium(1+)

2-carboxybenzoate;thallium(1+) (PubChem CID 101403196) has the molecular formula C8H5O4Tl and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-carboxybenzoate;thallium(1+).

Molecular Properties

Compound Name2-carboxybenzoate;thallium(1+)
PubChem CID101403196
Molecular FormulaC8H5O4Tl
Molecular Weight369.51 g/mol
Exact Mass369.99
IUPAC Name2-carboxybenzoate;thallium(1+)
SMILESO=C([O-])c1ccccc1C(=O)O.[Tl+]
InChIInChI=1S/C8H6O4.Tl/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+1/p-1
InChIKeyDYFSNVWVAGIZTO-UHFFFAOYSA-M
XLogP-0.63
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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disodium;hydron;phthalate
CID 23089010
bis(lead(2+));phthalate;dihydroxide
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Frequently Asked Questions

What is the IUPAC name of 2-carboxybenzoate;thallium(1+)?
The IUPAC name of 2-carboxybenzoate;thallium(1+) (CID 101403196) is 2-carboxybenzoate;thallium(1+).
What is the SMILES notation for 2-carboxybenzoate;thallium(1+)?
The canonical SMILES for 2-carboxybenzoate;thallium(1+) is O=C([O-])c1ccccc1C(=O)O.[Tl+].
What is the InChIKey of 2-carboxybenzoate;thallium(1+)?
The InChIKey is DYFSNVWVAGIZTO-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6O4.Tl/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+1/p-1.
What are the key properties of 2-carboxybenzoate;thallium(1+)?
2-carboxybenzoate;thallium(1+) has a molecular weight of 369.51 g/mol, XLogP of -0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxybenzoate;thallium(1+) is sourced from PubChem (CID 101403196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).