Cas no 90409-77-1 (Benzoic acid,4,4'-[1,3-propanediylbis(oxy)]bis-, homopolymer)

Benzoic acid,4,4'-[1,3-propanediylbis(oxy)]bis-, homopolymer structure
90409-77-1 structure
Product Name:Benzoic acid,4,4'-[1,3-propanediylbis(oxy)]bis-, homopolymer
CAS No:90409-77-1
MF:C17H16O6
MW:316.305345535278
CID:805577
Update Time:2024-02-02

Benzoic acid,4,4'-[1,3-propanediylbis(oxy)]bis-, homopolymer Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,4,4'-[1,3-propanediylbis(oxy)]bis-, homopolymer
    • poly(bis(4-carbophenoxy)propane)
    • Inchi: 1S/C17H16O6/c18-16(19)12-2-6-14(7-3-12)22-10-1-11-23-15-8-4-13(5-9-15)17(20)21/h2-9H,1,10-11H2,(H,18,19)(H,20,21)
    • InChI Key: VBISQLWPGDULSX-UHFFFAOYSA-N
    • SMILES: C(O)(=O)C1=CC=C(OCCCOC2=CC=C(C(O)=O)C=C2)C=C1

Computed Properties

  • Exact Mass: 316.095
  • Monoisotopic Mass: 316.095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 8
  • Complexity: 345
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3
  • Topological Polar Surface Area: 93.1A^2

Experimental Properties

  • Density: 1.318
  • Boiling Point: 533.5°C at 760 mmHg
  • Flash Point: 196.7°C
  • Refractive Index: 1.602
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