potassium 2-(1H-indol-3-yl)acetate

• ChemBase ID: 121530
• Molecular Formular: C10H8KNO2
• Molecular Mass: 213.27432
• Monoisotopic Mass: 213.01921018
• SMILES: c1(c[nH]c2c1cccc2)CC(=O)[O-].[K+]
• Canonical SMILES: [O-]C(=O)Cc1c[nH]c2c1cccc2.[K+]
• InChI: InChI=1S/C10H9NO2.K/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9;/h1-4,6,11H,5H2,(H,12,13);/q;+1/p-1
• InChIKey: MLWMEUAQPRACHM-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium 2-(1H-indol-3-yl)acetate
• IUPAC Traditional name: potassium β-indoleacetate
• Synonyms: potassium 2-(1H-indol-3-yl)acetate

Database IDs

• PubChem SID: 162215883
• PubChem CID: 23667427

CALCULATED PROPERTIES

• Acid pKa: 4.6618505
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.81362313
• LogD (pH = 7.4): -0.96409625
• Log P: 1.7097561
• Molar Refractivity: 59.2892 cm^3
• Polarizability: 19.615776 Å^3
• Polar Surface Area: 55.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: K+