Cas no 49836-24-0 (Ethyl 2-(ethoxymethylene)-3-oxobutanoate)

Ethyl 2-(ethoxymethylene)-3-oxobutanoate structure
49836-24-0 structure
Product Name:Ethyl 2-(ethoxymethylene)-3-oxobutanoate
CAS No:49836-24-0
MF:C9H14O4
MW:186.205063343048
CID:2640550
Update Time:2023-08-07

Ethyl 2-(ethoxymethylene)-3-oxobutanoate Chemical and Physical Properties

Names and Identifiers

    • ethyl 2-(ethoxymethylene)-3-oxobutanoate
    • Ethyl 2-(ethoxymethylene)acetoacetate
    • 2-(Ethoxymethylene)-3-oxobutanoic acid ethyl ester
    • (E)-ethyl 2-(ethoxymethylene)-3-oxobutanoate
    • ethyl (2E)-2-(ethoxymethylidene)-3-oxobutanoate
    • 2-Acetyl-3-ethoxyacrylic Acid Ethyl Ester
    • 2-(Ethoxymethylene)-3-oxo-butanoic acid,ethyl ester
    • 2-(ethoxymethylene)-3-oxo-butanoic acid ethyl ester
    • ethyl 2-(ethoxymethylidene)-3-oxobutanoate
    • PubChem17297
    • ethyl (2Z)-2-(ethoxymethylidene)-3-ox
    • Ethyl 2-(ethoxymethylene)-3-oxobutanoate
    • Inchi: 1S/C9H14O4/c1-4-12-6-8(7(3)10)9(11)13-5-2/h6H,4-5H2,1-3H3/b8-6+
    • InChI Key: FNASCUBBFNCFQO-SOFGYWHQSA-N
    • SMILES: O(C(/C(/C(C)=O)=C/OCC)=O)CC

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 6
  • Complexity: 218
  • Topological Polar Surface Area: 52.6
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