potassium prop-2-enoate

• ChemBase ID: 302172
• Molecular Formular: C3H3KO2
• Molecular Mass: 110.15302
• Monoisotopic Mass: 109.97701102
• SMILES: C=CC(=O)[O-].[K+]
• Canonical SMILES: [O-]C(=O)C=C.[K+]
• InChI: InChI=1S/C3H4O2.K/c1-2-3(4)5;/h2H,1H2,(H,4,5);/q;+1/p-1
• InChIKey: ZUBIJGNKOJGGCI-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium prop-2-enoate
• IUPAC Traditional name: potassium acrylate
• Synonyms: Acrylic acid potassium salt; Potassium acrylate hydrate; 丙烯酸钾水合物

Database IDs

• CAS Number: 10192-85-5
• EC Number: 233-473-9
• MDL Number: MFCD00151663
• Beilstein Number: 3695913

CALCULATED PROPERTIES

• Acid pKa: 4.7158084
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.31655344
• LogD (pH = 7.4): -2.0941725
• Log P: 0.5329473
• Molar Refractivity: 28.1285 cm^3
• Polarizability: 6.463116 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P280G-P305+P351+P338

Product Information

• Purity: 95%