potassium 2,3-dihydro-1H-isoindole-1,3-dione

• ChemBase ID: 795855
• Molecular Formular: C8H5KNO2+
• Molecular Mass: 186.2291
• Monoisotopic Mass: 185.99573509
• SMILES: [K+].O=C1NC(=O)c2ccccc12
• Canonical SMILES: O=C1NC(=O)c2c1cccc2.[K+]
• InChI: InChI=1S/C8H5NO2.K/c10-7-5-3-1-2-4-6(5)8(11)9-7;/h1-4H,(H,9,10,11);/q;+1
• InChIKey: FYRHIOVKTDQVFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium 2,3-dihydro-1H-isoindole-1,3-dione
• IUPAC Traditional name: potassium phthalimide
• Synonyms: Potassium phthalimide

Database IDs

• CAS Number: 1074-82-4

CALCULATED PROPERTIES

• Acid pKa: 8.402129
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.69284976
• LogD (pH = 7.4): 0.6526804
• Log P: 0.69342303
• Molar Refractivity: 39.3148 cm^3
• Polarizability: 14.162762 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%