Cas no 6946-43-6 (cyclohexyl 1-hydroxycyclopentanecarboxylate)

cyclohexyl 1-hydroxycyclopentanecarboxylate structure
6946-43-6 structure
Product Name:cyclohexyl 1-hydroxycyclopentanecarboxylate
CAS No:6946-43-6
MF:C12H20O3
MW:212.285404205322
CID:2627254
PubChem ID:245370
Update Time:2025-04-21

cyclohexyl 1-hydroxycyclopentanecarboxylate Chemical and Physical Properties

Names and Identifiers

    • cyclohexyl 1-hydroxycyclopentanecarboxylate
    • CTK1I6848; 1-hydroxycyclopentanecarbaldehyde; 1-hydroxy-cyclopentanecarboxylic acid cyclohexyl ester; 1-Hydroxy-cyclopentancarbaldehyd; 1-hydroxy-cyclopentanecarbaldehyde; 1-hydroxy-cyclopentane-1-carbaldehyde; Cyclopentanecarboxaldehyde, 1-hydroxy-; 1-Hydroxy-cyclopentancarbonsaeure-cyclohexylester;
    • NSC-57319
    • DTXSID50989356
    • cyclohexyl 1-hydroxycyclopentane-1-carboxylate
    • DS-010709
    • 6946-43-6
    • NSC57319
    • Inchi: 1S/C12H20O3/c13-11(12(14)8-4-5-9-12)15-10-6-2-1-3-7-10/h10,14H,1-9H2
    • InChI Key: SWRNQIPNJNOJFR-UHFFFAOYSA-N
    • SMILES: O(C(C1(CCCC1)O)=O)C1CCCCC1

Computed Properties

  • Exact Mass: 212.1413
  • Monoisotopic Mass: 212.141245
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 225
  • 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
  • Topological Polar Surface Area: 46.5
  • XLogP3: 2.3

Experimental Properties

  • Density: 1.11
  • Boiling Point: 295.3°C at 760 mmHg
  • Flash Point: 117.2°C
  • Refractive Index: 1.506
  • PSA: 46.53
  • LogP: 2.16740
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