Cas no 5359-49-9 ( )

  structure
  structure
Product Name: 
CAS No:5359-49-9
MF:C16H16O2
MW:240.297044754028
CID:938786
PubChem ID:344848
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • methyl 2-(4-methylphenyl)-2-phenylacetate
    • NSC401973
    • 5359-49-9
    • DTXSID40322753
    • NSC-401973
    •  
    • Inchi： 1S/C16H16O2/c1-12-8-10-14(11-9-12)15(16(17)18-2)13-6-4-3-5-7-13/h3-11,15H,1-2H3
    • InChI Key： SLHUVOQYDHUKNY-UHFFFAOYSA-N
    • SMILES： O(C)C(C(C1C=CC=CC=1)C1C=CC(C)=CC=1)=O

Computed Properties

  • Exact Mass: 240.11508
  • Monoisotopic Mass: 240.115
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 260
  • 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
  • XLogP3: 3.8
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Density: 1.08
  • Boiling Point: 340.7°C at 760 mmHg
  • Flash Point: 133.6°C
  • Refractive Index: 1.555
  • PSA: 26.3

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