Cas no 1687-22-5 (Butanedioic acid,2-(2-cyclopenten-1-yl)-)

Butanedioic acid,2-(2-cyclopenten-1-yl)- structure
1687-22-5 structure
Product Name:Butanedioic acid,2-(2-cyclopenten-1-yl)-
CAS No:1687-22-5
MF:C9H12O4
MW:184.189183235168
CID:223540
PubChem ID:296946
Update Time:2025-04-19

Butanedioic acid,2-(2-cyclopenten-1-yl)- Chemical and Physical Properties

Names and Identifiers

    • Butanedioic acid,2-(2-cyclopenten-1-yl)-
    • 2-cyclopent-2-en-1-ylbutanedioic acid
    • 3-(1,2-Dicarboxy-ethyl)-cyclopenten-(1)
    • AC1L6QWA
    • Cyclopent-2-enyl-bernsteinsaeure
    • cyclopent-2-enyl-succinic acid
    • Cyclopenten-(2)-yl-bernsteinsaeure
    • NSC167518
    • NSC-167518
    • 1687-22-5
    • DTXSID60304834
    • Inchi: 1S/C9H12O4/c10-8(11)5-7(9(12)13)6-3-1-2-4-6/h1,3,6-7H,2,4-5H2,(H,10,11)(H,12,13)
    • InChI Key: USLAGXVECGOKQH-UHFFFAOYSA-N
    • SMILES: OC(C(CC(=O)O)C1C=CCC1)=O

Computed Properties

  • Exact Mass: 184.07356
  • Monoisotopic Mass: 184.07355886g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 244
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.7
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • PSA: 74.6
  • LogP: 1.12810
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