potassium 2-carboxybenzoate

C8H5KO4 — CID 23676735

IUPACpotassium 2-carboxybenzoate
SMILESO=C([O-])c1ccccc1C(=O)O.[K+]
InChIInChI=1S/C8H6O4.K/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
InChIKeyIWZKICVEHNUQTL-UHFFFAOYSA-M
MW204.22 g/mol
LogP-3.25
Rot. Bonds2

About potassium 2-carboxybenzoate

potassium 2-carboxybenzoate (PubChem CID 23676735) has the molecular formula C8H5KO4 and a molecular weight of 204.22 g/mol. Its IUPAC name is potassium 2-carboxybenzoate.

Molecular Properties

Compound Namepotassium 2-carboxybenzoate
PubChem CID23676735
Molecular FormulaC8H5KO4
Molecular Weight204.22 g/mol
Exact Mass203.98
IUPAC Namepotassium 2-carboxybenzoate
SMILESO=C([O-])c1ccccc1C(=O)O.[K+]
InChIInChI=1S/C8H6O4.K/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
InChIKeyIWZKICVEHNUQTL-UHFFFAOYSA-M
XLogP-3.25
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 5-3.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze potassium 2-carboxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium 2-carboxybenzoate?
The IUPAC name of potassium 2-carboxybenzoate (CID 23676735) is potassium 2-carboxybenzoate.
What is the SMILES notation for potassium 2-carboxybenzoate?
The canonical SMILES for potassium 2-carboxybenzoate is O=C([O-])c1ccccc1C(=O)O.[K+].
What is the InChIKey of potassium 2-carboxybenzoate?
The InChIKey is IWZKICVEHNUQTL-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6O4.K/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 potassium 2-carboxybenzoate?
potassium 2-carboxybenzoate has a molecular weight of 204.22 g/mol, XLogP of -3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-carboxybenzoate is sourced from PubChem (CID 23676735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).