Cas no 33405-95-7 ( )

  structure
  structure
Product Name: 
CAS No:33405-95-7
MF:C17H18O4
MW:286.322425365448
CID:917934
PubChem ID:347607
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • NSC406385
    • NSC-406385
    • (4-methoxyphenyl)methyl 2-ethoxybenzoate
    • DTXSID40324318
    • 33405-95-7
    •  
    • Inchi： 1S/C17H18O4/c1-3-20-16-7-5-4-6-15(16)17(18)21-12-13-8-10-14(19-2)11-9-13/h4-11H,3,12H2,1-2H3
    • InChI Key： DQWNJYMHRDOBQK-UHFFFAOYSA-N
    • SMILES： O(C(C1C=CC=CC=1OCC)=O)CC1C=CC(=CC=1)OC

Computed Properties

  • Exact Mass: 286.12054
  • Monoisotopic Mass: 286.121
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 7
  • Complexity: 310
  • 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
  • XLogP3: 3.6
  • Topological Polar Surface Area: 44.8?2

Experimental Properties

  • Density: 1.133
  • Boiling Point: 418.2°C at 760 mmHg
  • Flash Point: 184.2°C
  • Refractive Index: 1.55
  • PSA: 44.76

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