Cas no 86235-81-6 ( )

  structure
  structure
Product Name: 
CAS No:86235-81-6
MF:C17H14O4
MW:282.290665149689
CID:991449
PubChem ID:301219
Update Time:2025-04-20

  Chemical and Physical Properties

Names and Identifiers

    • methyl 3-(3-oxo-3-phenylpropanoyl)benzoate
    • NSC177693
    • SCHEMBL11020755
    • NSC-177693
    • 86235-81-6
    • DTXSID30306582
    • METHYL 3-(3-OXO-3-PHENYL-PROPANOYL)BENZOATE
    • DS-011423
    •  
    • Inchi： 1S/C17H14O4/c1-21-17(20)14-9-5-8-13(10-14)16(19)11-15(18)12-6-3-2-4-7-12/h2-10H,11H2,1H3
    • InChI Key： UFQCIQOPGIOJPQ-UHFFFAOYSA-N
    • SMILES： O=C(C1C=CC=C(C(=O)OC)C=1)CC(C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 282.08920892g/mol
  • Monoisotopic Mass: 282.08920892g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 6
  • Complexity: 396
  • 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
  • Topological Polar Surface Area: 60.4?2

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