Cas no 212757-11-4 (Cyclohexanecarboxylicacid, 2-(2-thienylcarbonyl)-, (1R,2R)-rel-)

Cyclohexanecarboxylicacid, 2-(2-thienylcarbonyl)-, (1R,2R)-rel- structure
212757-11-4 structure
Product Name:Cyclohexanecarboxylicacid, 2-(2-thienylcarbonyl)-, (1R,2R)-rel-
CAS No:212757-11-4
MF:C12H14O3S
MW:238.302762508392
CID:285894
PubChem ID:1268173
Update Time:2025-04-19

Cyclohexanecarboxylicacid, 2-(2-thienylcarbonyl)-, (1R,2R)-rel- Chemical and Physical Properties

Names and Identifiers

    • Cyclohexanecarboxylicacid, 2-(2-thienylcarbonyl)-, (1R,2R)-rel-
    • (1R,2R)-2-(thiophen-2-ylcarbonyl)cyclohexanecarboxylate
    • 212757-11-4
    • SCHEMBL3858877
    • trans-2-(2-Thiophenecarbonyl)-1-cyclohexanecarboxylic acid,99
    • (1R,2R)-2-(thiophene-2-carbonyl)cyclohexane-1-carboxylic acid
    • Inchi: 1S/C12H14O3S/c13-11(10-6-3-7-16-10)8-4-1-2-5-9(8)12(14)15/h3,6-9H,1-2,4-5H2,(H,14,15)/t8-,9-/m1/s1
    • InChI Key: OHEBPHKWGCMUNK-RKDXNWHRSA-N
    • SMILES: S1C=CC=C1C([C@@H]1CCCC[C@H]1C(=O)O)=O

Computed Properties

  • Exact Mass: 237.05859
  • Monoisotopic Mass: 238.06636548g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 285
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: -1
  • XLogP3: 3.3
  • Topological Polar Surface Area: 57.2

Experimental Properties

  • Color/Form: Not available
  • Density: 1.2650 (rough estimate)
  • Melting Point: 179-184°C
  • Boiling Point: 350.9°C (rough estimate)
  • Refractive Index: 1.5050 (estimate)
  • PSA: 57.2
  • Solubility: Not available
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