potassium 4-aminobenzoate

C7H6KNO2 — CID 23663628

IUPACpotassium 4-aminobenzoate
SMILESNc1ccc(C(=O)[O-])cc1.[K+]
InChIInChI=1S/C7H7NO2.K/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,8H2,(H,9,10);/q;+1/p-1
InChIKeyMZKKJVZIFIQOPP-UHFFFAOYSA-M
MW175.23 g/mol
LogP-3.36
Rot. Bonds1

About potassium 4-aminobenzoate

potassium 4-aminobenzoate (PubChem CID 23663628) has the molecular formula C7H6KNO2 and a molecular weight of 175.23 g/mol. Its IUPAC name is potassium 4-aminobenzoate.

Molecular Properties

Compound Namepotassium 4-aminobenzoate
PubChem CID23663628
Molecular FormulaC7H6KNO2
Molecular Weight175.23 g/mol
Exact Mass175.00
IUPAC Namepotassium 4-aminobenzoate
SMILESNc1ccc(C(=O)[O-])cc1.[K+]
InChIInChI=1S/C7H7NO2.K/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,8H2,(H,9,10);/q;+1/p-1
InChIKeyMZKKJVZIFIQOPP-UHFFFAOYSA-M
XLogP-3.36
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-3.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium 4-aminobenzoate?
The IUPAC name of potassium 4-aminobenzoate (CID 23663628) is potassium 4-aminobenzoate.
What is the SMILES notation for potassium 4-aminobenzoate?
The canonical SMILES for potassium 4-aminobenzoate is Nc1ccc(C(=O)[O-])cc1.[K+].
What is the InChIKey of potassium 4-aminobenzoate?
The InChIKey is MZKKJVZIFIQOPP-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7NO2.K/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,8H2,(H,9,10);/q;+1/p-1.
What are the key properties of potassium 4-aminobenzoate?
potassium 4-aminobenzoate has a molecular weight of 175.23 g/mol, XLogP of -3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-aminobenzoate is sourced from PubChem (CID 23663628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).