Cas no 13531-49-2 (Benzoic acid,4-[2-(4-methylphenoxy)ethoxy]-)

Benzoic acid,4-[2-(4-methylphenoxy)ethoxy]- structure
13531-49-2 structure
Product Name:Benzoic acid,4-[2-(4-methylphenoxy)ethoxy]-
CAS No:13531-49-2
MF:C16H16O4
MW:272.295845031738
CID:232222
PubChem ID:289357
Update Time:2025-04-19

Benzoic acid,4-[2-(4-methylphenoxy)ethoxy]- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,4-[2-(4-methylphenoxy)ethoxy]-
    • 4-[2-(4-methylphenoxy)ethoxy]benzoic acid
    • 1-(4-Carboxy-phenoxy)-2-(4-methyl-phenoxy)-aethan
    • 1-< 4-Carboxy-phenoxy> -2-< 4-methyl-phenoxy> -aethan
    • AC1L6BI6
    • AC1Q5US6
    • AG-J-74449
    • AR-1F9566
    • CTK4B9754
    • NSC151090
    • 13531-49-2
    • 4-(2-(4-Methylphenoxy)ethoxy)benzoic acid
    • NSC 151090
    • DTXSID30302463
    • NSC-151090
    • SCHEMBL20148112
    • AKOS000346284
    • Inchi： 1S/C16H16O4/c1-12-2-6-14(7-3-12)19-10-11-20-15-8-4-13(5-9-15)16(17)18/h2-9H,10-11H2,1H3,(H,17,18)
    • InChI Key： UWMYLIWGPSQBGJ-UHFFFAOYSA-N
    • SMILES： O(C1C=CC(C)=CC=1)CCOC1C=CC(C(=O)O)=CC=1

Computed Properties

  • Exact Mass: 272.10500
  • Monoisotopic Mass: 272.105
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 6
  • Complexity: 289
  • 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: 3.9
  • Topological Polar Surface Area: 55.8?2

Experimental Properties

  • Density: 1.198
  • Boiling Point: 459.4°Cat760mmHg
  • Flash Point: 171°C
  • Refractive Index: 1.579
  • PSA: 55.76000
  • LogP: 3.15100

Benzoic acid,4-[2-(4-methylphenoxy)ethoxy]- Related Literature

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