1,4-disodium but-2-enedioate

• ChemBase ID: 138779
• Molecular Formular: C4H2Na2O4
• Molecular Mass: 160.03582
• Monoisotopic Mass: 159.97484711
• SMILES: C(=C\C(=O)O[Na])/C(=O)O[Na]
• Canonical SMILES: [Na]OC(=O)/C=C/C(=O)O[Na]
• InChI: InChI=1S/C4H4O4.2Na/c5-3(6)1-2-4(7)8;;/h1-2H,(H,5,6)(H,7,8);;/q;2*+1/p-2
• InChIKey: MSJMDZAOKORVFC-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-disodium but-2-enedioate
• IUPAC Traditional name: 1,4-disodium but-2-enedioate
• Synonyms: Poly(maleic acid-co-olefin) sodium salt solution; 聚(马来酸-co-烯烃) 钠盐 溶液

Database IDs

• MDL Number: MFCD00197908
• PubChem SID: 162233030
• PubChem CID: 6033433

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.065
• LogD (pH = 7.4): 2.065
• Log P: 2.065
• Molar Refractivity: 22.7518 cm^3
• Polarizability: 12.900356 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.29 g/mL at 25 °C
• Refractive Index: n20/D 1.384

Safety Information

• German water hazard class: 3

Product Information

• Concentration: 25 wt. % in H2O
• Mol. Weight: average Mw ~12,000
• Linear Formula: [-CH(CO2R)CH(CO2R)-]x[-CH2CH(R')-]y, R=H or Na, R'=-CH2(CH2)nCH3