potassium benzoate

C7H5KO2 — CID 23661960

IUPACpotassium benzoate
SMILESO=C([O-])c1ccccc1.[K+]
InChIInChI=1S/C7H6O2.K/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1
InChIKeyXAEFZNCEHLXOMS-UHFFFAOYSA-M
MW160.21 g/mol
LogP-2.95
Rot. Bonds1

About potassium benzoate

potassium benzoate (PubChem CID 23661960) has the molecular formula C7H5KO2 and a molecular weight of 160.21 g/mol. Its IUPAC name is potassium benzoate.

Molecular Properties

Compound Namepotassium benzoate
PubChem CID23661960
Molecular FormulaC7H5KO2
Molecular Weight160.21 g/mol
Exact Mass159.99
IUPAC Namepotassium benzoate
SMILESO=C([O-])c1ccccc1.[K+]
InChIInChI=1S/C7H6O2.K/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1
InChIKeyXAEFZNCEHLXOMS-UHFFFAOYSA-M
XLogP-2.95
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 5-2.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzoic Acid
CID 243
Benzyl Benzoate
CID 2345
Benzoyl Peroxide
CID 7187
Sodium Benzoate
CID 517055
Phthalic Acid
CID 1017
Methyl Benzoate
CID 7150
Terephthalic Acid
CID 7489
Thimerosal
CID 16684434
Dimethyl terephthalate
CID 8441
Isophthalic Acid
CID 8496
Butyl Benzoate
CID 8698
P-Toluic Acid
CID 7470

Frequently Asked Questions

What is the IUPAC name of potassium benzoate?
The IUPAC name of potassium benzoate (CID 23661960) is potassium benzoate.
What is the SMILES notation for potassium benzoate?
The canonical SMILES for potassium benzoate is O=C([O-])c1ccccc1.[K+].
What is the InChIKey of potassium benzoate?
The InChIKey is XAEFZNCEHLXOMS-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O2.K/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1.
What are the key properties of potassium benzoate?
potassium benzoate has a molecular weight of 160.21 g/mol, XLogP of -2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium benzoate is sourced from PubChem (CID 23661960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).