dipotassium but-2-enedioate

• ChemBase ID: 105621
• Molecular Formular: C4H2K2O4
• Molecular Mass: 192.25288
• Monoisotopic Mass: 191.9227219
• SMILES: [K+].[K+].[O-]C(=O)/C=C/C(=O)[O-]
• Canonical SMILES: [O-]C(=O)/C=C/C(=O)[O-].[K+].[K+]
• InChI: InChI=1S/C4H4O4.2K/c5-3(6)1-2-4(7)8;;/h1-2H,(H,5,6)(H,7,8);;/q;2*+1/p-2
• InChIKey: SHPKCSFVQGSAJU-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dipotassium but-2-enedioate; dipotassium (2E)-but-2-enedioate
• IUPAC Traditional name: dipotassium butenedioate; dipotassium ion butenedioate; dipotassium fumarate
• Synonyms: potassium fumarate; potassium (E)-butenedioate; Dipotassium fumarate; Fumaric acie; EINECS 223-979-8, 4151-35-3, 7704-72-5; Potassium fumarate; FUMARIC ACID DIPOTASSIUM SALT

Database IDs

• CAS Number: 7704-72-5
• MDL Number: MFCD00039096
• PubChem SID: 162092537
• PubChem CID: 6433511
• Chemspider ID: 4938656
• Wikipedia Title: Potassium_fumarate

CALCULATED PROPERTIES

• Acid pKa: 3.5457325
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.1057482
• LogD (pH = 7.4): -6.3127127
• Log P: -0.04091433
• Molar Refractivity: 46.2812 cm^3
• Polarizability: 8.887442 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)

Product Information

• Purity: 95+%

DETAILS

MP Biomedicals - 02193554

Dipotassium Salt
Crystalline