Cas no 59086-25-8 (ethyl 4-oxo-4-(thiophen-2-yl)butanoate)

ethyl 4-oxo-4-(thiophen-2-yl)butanoate structure
59086-25-8 structure
Product Name:ethyl 4-oxo-4-(thiophen-2-yl)butanoate
CAS No:59086-25-8
MF:C10H12O3S
MW:212.265481948853
CID:877792
PubChem ID:3863898
Update Time:2025-04-19

ethyl 4-oxo-4-(thiophen-2-yl)butanoate Chemical and Physical Properties

Names and Identifiers

    • ethyl 4-oxo-4-thiophen-2-ylbutanoate
    • 4-OXO-4-THIOPHEN-2-YL-BUTYRIC ACID ETHYL ESTER
    • SCHEMBL2510976
    • Z53833603
    • DTXSID90397552
    • EN300-04852
    • Ethyl 3-(2-thenoyl)propionate
    • 59086-25-8
    • ethyl 4-oxo-4-(thiophen-2-yl)butanoate
    • ethyl4-oxo-4-(thiophen-2-yl)butanoate
    • AT12736
    • AKOS008947779
    • MDL: MFCD03987969
    • Inchi: 1S/C10H12O3S/c1-2-13-10(12)6-5-8(11)9-4-3-7-14-9/h3-4,7H,2,5-6H2,1H3
    • InChI Key: RJEMGPWSHASQJF-UHFFFAOYSA-N
    • SMILES: S1C=CC=C1C(CCC(=O)OCC)=O

Computed Properties

  • Exact Mass: 212.05076
  • Monoisotopic Mass: 212.05071541g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 6
  • Complexity: 215
  • 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: 1.7
  • Topological Polar Surface Area: 71.6?2

Experimental Properties

  • PSA: 43.37

ethyl 4-oxo-4-(thiophen-2-yl)butanoate Pricemore >>

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