Cas no 78644-42-5 (Butanedioic acid,2-hydroxy-, homopolymer)

Butanedioic acid,2-hydroxy-, homopolymer structure
78644-42-5 structure
Product Name:Butanedioic acid,2-hydroxy-, homopolymer
CAS No:78644-42-5
MF:C4H6O5
MW:134.087441921234
CID:565064
Update Time:2024-01-30

Butanedioic acid,2-hydroxy-, homopolymer Chemical and Physical Properties

Names and Identifiers

    • Butanedioic acid,2-hydroxy-, homopolymer
    • poly(malate)
    • Inchi: 1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)
    • InChI Key: BJEPYKJPYRNKOW-UHFFFAOYSA-N
    • SMILES: C(O)(=O)C(O)CC(O)=O

Computed Properties

  • Exact Mass: 134.021523
  • Monoisotopic Mass: 134.021523
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • Complexity: 129
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: _1.3
  • Topological Polar Surface Area: 94.8

Experimental Properties

  • Density: 1.601 g/ cu cm at 20 °C
  • Melting Point: 131.0 °C
  • Boiling Point: Decomposes at >225 °C and <235 °C (BP not determinable) /OECD Guideline 103 (Boiling point/boiling range)/
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