Poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate)

• Catalog Number: ACM155090838
• Product Name: Poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate)
• CAS: 155090-83-8
• Category: Heterocyclic Organic Compound
• Synonyms: PEDOT:PSS
• IUPAC Name: 2,3-dihydrothieno[3,4-b][1,4]dioxine;(E)-2-phenylethenesulfonic acid
• Molecular Weight: 326.4g/mol
• Molecular Formula: C14H14O5S2
• Canonical SMILES: C1COC2=CSC=C2O1.C1=CC=C(C=C1)C=CS(=O)(=O)O
• InChI: InChI=1S/C8H8O3S.C6H6O2S/c9-12(10,11)7-6-8-4-2-1-3-5-8;1-2-8-6-4-9-3-5(6)7-1/h1-7H,(H,9,10,11);3-4H,1-2H2/b7-6+
• InChI Key: BGAWZPQKJPTIEA-UHDJGPCESA-N
• Melting Point: >300 °C
• Flash Point: 100°C
• Density: 1.011g/cm³ (dried coatings)
• Complexity: 337
• CompoundIs Canonicalized: Yes
• Covalently-Bonded Unit Count: 2
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Exact Mass: 326.02826589g/mol
• Formal Charge: 0
• Hazard Statements: Xi,T,C,Xn
• H-Bond Acceptor: 6
• H-Bond Donor: 1
• Heavy Atom Count: 21
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 1
• Isotope Atom Count: 0
• Monoisotopic Mass: 326.02826589g/mol
• Rotatable Bond Count: 2
• Safety Description: 26-36/37/39-36-45-53
• Topological Polar Surface Area: 109Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0