Cas no 55044-52-5 ([4-(methoxycarbonyl)phenyl]methyl p-toluate)

[4-(methoxycarbonyl)phenyl]methyl p-toluate structure
55044-52-5 structure
Product Name:[4-(methoxycarbonyl)phenyl]methyl p-toluate
CAS No:55044-52-5
MF:C17H16O4
MW:284.306545257568
CID:943267
PubChem ID:108658
Update Time:2025-04-19

[4-(methoxycarbonyl)phenyl]methyl p-toluate Chemical and Physical Properties

Names and Identifiers

    • [4-(methoxycarbonyl)phenyl]methyl p-toluate
    • (4-methoxycarbonylphenyl)methyl 4-methylbenzoate
    • (4-(Methoxycarbonyl)phenyl)methyl p-toluate
    • (4-Carbomethoxy)benzyl p-toluate
    • 4-(methoxycarbonyl)benzyl 4-methylbenzoate
    • Benzoic acid, 4-methyl-, (4-(methoxycarbonyl)phenyl)methyl ester
    • DTXSID0068997
    • NS00033234
    • DB-237210
    • 4-(Methoxycarbonyl)benzyl 4-methylbenzoate #
    • EINECS 259-454-5
    • Methyl 4-(4-methylbenzoyloxy)methylbenzoate
    • 55044-52-5
    • Benzoic acid, 4-methyl-, [4-(methoxycarbonyl)phenyl]methyl ester
    • Inchi： 1S/C17H16O4/c1-12-3-7-15(8-4-12)17(19)21-11-13-5-9-14(10-6-13)16(18)20-2/h3-10H,11H2,1-2H3
    • InChI Key： KUNUTDVIDIBBOU-UHFFFAOYSA-N
    • SMILES： O(C(C1C=CC(C)=CC=1)=O)CC1C=CC(C(=O)OC)=CC=1

Computed Properties

  • Exact Mass: 284.10488
  • Monoisotopic Mass: 284.104859
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 6
  • Complexity: 350
  • 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: 52.6
  • XLogP3: 3.5

Experimental Properties

  • Density: 1.173
  • Boiling Point: 419.2°C at 760 mmHg
  • Flash Point: 209.8°C
  • Refractive Index: 1.566
  • PSA: 52.6

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