Cas no 13358-49-1 (1-phenylethyl benzoate)

1-phenylethyl benzoate structure
1-phenylethyl benzoate structure
Product Name:1-phenylethyl benzoate
CAS No:13358-49-1
MF:C15H14O2
MW:226.270464420319
MDL:MFCD00086125
CID:899663
PubChem ID:236456
Update Time:2025-04-19

1-phenylethyl benzoate Chemical and Physical Properties

Names and Identifiers

    • 1-phenylethyl benzoate
    • Benzoic acid, 1-phenylethyl ester
    • Phenylethyl benzoate
    • MDL: MFCD00086125
    • Inchi: 1S/C15H14O2/c1-12(13-8-4-2-5-9-13)17-15(16)14-10-6-3-7-11-14/h2-12H,1H3
    • InChI Key: NIHKUOHNHOWTCI-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC=CC=1)=O)C(C)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 226.099379685g/mol
  • Monoisotopic Mass: 226.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 237
  • 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: 3.7
  • Topological Polar Surface Area: 26.3?2

1-phenylethyl benzoate Pricemore >>

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