Cas no 2819-68-3 (3-(2-Oxo-1-Phenylcyclohexyl)Propanoic Acid)

3-(2-Oxo-1-Phenylcyclohexyl)Propanoic Acid structure
2819-68-3 structure
Product Name:3-(2-Oxo-1-Phenylcyclohexyl)Propanoic Acid
CAS No:2819-68-3
MF:C15H18O3
MW:246.301624774933
CID:254788
Update Time:2025-04-19

3-(2-Oxo-1-Phenylcyclohexyl)Propanoic Acid Chemical and Physical Properties

Names and Identifiers

    • Cyclohexanepropanoicacid, 2-oxo-1-phenyl-
    • 3-(2-oxo-1-phenylcyclohexyl)propanoic acid
    • 3-(2-Oxo-1-Phenylcyclohexyl)Propanoic Acid
    • Inchi: 1S/C15H18O3/c16-13-8-4-5-10-15(13,11-9-14(17)18)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,17,18)
    • InChI Key: ZDCBPGXPFYLDBZ-UHFFFAOYSA-N
    • SMILES: O=C1CCCCC1(C1C=CC=CC=1)CCC(=O)O

Computed Properties

  • Exact Mass: 246.12564
  • Monoisotopic Mass: 246.126
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 318
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0

Experimental Properties

  • Density: 1.149
  • Boiling Point: 434.8°C at 760 mmHg
  • Flash Point: 230.9°C
  • Refractive Index: 1.544
  • PSA: 54.37

3-(2-Oxo-1-Phenylcyclohexyl)Propanoic Acid Pricemore >>

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