Cas no 5359-41-1 (methyl bis(4-methoxyphenyl)acetate)

methyl bis(4-methoxyphenyl)acetate structure
5359-41-1 structure
Product Name:methyl bis(4-methoxyphenyl)acetate
CAS No:5359-41-1
MF:C17H18O4
MW:286.322425365448
CID:1587383
PubChem ID:910879
Update Time:2025-04-21

methyl bis(4-methoxyphenyl)acetate Chemical and Physical Properties

Names and Identifiers

    • methyl bis(4-methoxyphenyl)acetate
    • Benzeneacetic acid, 4-methoxy-alpha-(4-methoxyphenyl)-, methyl ester
    • Methyl 4-methoxy-alpha-(4-methoxyphenyl)benzeneacetate
    • 4-methoxy-α-(4-methoxyphenyl)-Benzeneacetic acid, methyl ester
    • methyl 2,2-bis(4-methoxyphenyl)acetate
    • DTXSID10968364
    • AKOS022113449
    • STL321970
    • 5359-41-1
    • Oprea1_519291
    • Inchi: 1S/C17H18O4/c1-19-14-8-4-12(5-9-14)16(17(18)21-3)13-6-10-15(20-2)11-7-13/h4-11,16H,1-3H3
    • InChI Key: HCYKGVMLBLIKGC-UHFFFAOYSA-N
    • SMILES: O(C)C(C(C1C=CC(=CC=1)OC)C1C=CC(=CC=1)OC)=O

Computed Properties

  • Exact Mass: 286.12054
  • Monoisotopic Mass: 286.120509
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 6
  • Complexity: 291
  • 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: 44.8
  • XLogP3: 3.3

Experimental Properties

  • Density: 1.126
  • Boiling Point: 407.4°C at 760 mmHg
  • Flash Point: 179°C
  • Refractive Index: 1.542
  • PSA: 44.76
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