Cas no 82031-49-0 (1,1,5,5-Pentanetetracarboxylic acid, tetramethyl ester)

1,1,5,5-Pentanetetracarboxylic acid, tetramethyl ester structure
82031-49-0 structure
Product Name:1,1,5,5-Pentanetetracarboxylic acid, tetramethyl ester
CAS No:82031-49-0
MF:C13H20O8
MW:304.293105125427
CID:699731
PubChem ID:2266639
Update Time:2025-04-19

1,1,5,5-Pentanetetracarboxylic acid, tetramethyl ester Chemical and Physical Properties

Names and Identifiers

    • 1,1,5,5-Pentanetetracarboxylic acid, tetramethyl ester
    • tetramethyl pentane-1,1,5,5-tetracarboxylate
    • SCHEMBL11650719
    • DTXSID50367433
    • 82031-49-0
    • CBMicro_009380
    • SMSF0012879
    • BIM-0009434.P001
    • CB12170
    • Inchi: 1S/C13H20O8/c1-18-10(14)8(11(15)19-2)6-5-7-9(12(16)20-3)13(17)21-4/h8-9H,5-7H2,1-4H3
    • InChI Key: OMHGFALCNDQVOU-UHFFFAOYSA-N
    • SMILES: O(C)C(C(C(=O)OC)CCCC(C(=O)OC)C(=O)OC)=O

Computed Properties

  • Exact Mass: 304.11581759g/mol
  • Monoisotopic Mass: 304.11581759g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 12
  • Complexity: 322
  • 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
  • XLogP3: 1.4
  • Topological Polar Surface Area: 105?2
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