Cas no 89326-67-0 (Benzenebutanoic acid, 4-(1-oxopropyl)-, ethyl ester)

Benzenebutanoic acid, 4-(1-oxopropyl)-, ethyl ester structure
89326-67-0 structure
Product Name:Benzenebutanoic acid, 4-(1-oxopropyl)-, ethyl ester
CAS No:89326-67-0
MF:C15H20O3
MW:248.317504882813
CID:604157
PubChem ID:71323608
Update Time:2025-04-19

Benzenebutanoic acid, 4-(1-oxopropyl)-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzenebutanoic acid, 4-(1-oxopropyl)-, ethyl ester
    • ethyl 4-(4-propanoylphenyl)butanoate
    • 89326-67-0
    • DTXSID70753177
    • Inchi: 1S/C15H20O3/c1-3-14(16)13-10-8-12(9-11-13)6-5-7-15(17)18-4-2/h8-11H,3-7H2,1-2H3
    • InChI Key: CUFUBSJXHIDHAT-UHFFFAOYSA-N
    • SMILES: O(CC)C(CCCC1C=CC(C(CC)=O)=CC=1)=O

Computed Properties

  • Exact Mass: 248.14124450g/mol
  • Monoisotopic Mass: 248.14124450g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 8
  • Complexity: 265
  • 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: 2.9
  • Topological Polar Surface Area: 43.4?2

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