Cas no 32851-84-6 (Hexanedioic acid, 2-methylene-)

Hexanedioic acid, 2-methylene- structure
32851-84-6 structure
Product Name:Hexanedioic acid, 2-methylene-
CAS No:32851-84-6
MF:C7H10O4
MW:158.151902675629
CID:1458287
PubChem ID:17900745
Update Time:2025-04-20

Hexanedioic acid, 2-methylene- Chemical and Physical Properties

Names and Identifiers

    • Hexanedioic acid, 2-methylene-
    • 2-methylen-adipic acid
    • DB-164487
    • SCHEMBL33625
    • 2-Methylenehexanedioic Acid
    • 32851-84-6
    • Inchi: 1S/C7H10O4/c1-5(7(10)11)3-2-4-6(8)9/h1-4H2,(H,8,9)(H,10,11)
    • InChI Key: GQXRTXAQSDUAEY-UHFFFAOYSA-N
    • SMILES: OC(CCCC(=C)C(=O)O)=O

Computed Properties

  • Exact Mass: 228.1362
  • Monoisotopic Mass: 158.05790880g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 5
  • Complexity: 183
  • 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: 0.5
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • PSA: 52.6
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