Cas no 1194714-96-9 (Cyclohexanecarboxylic acid, 2,3-dimethyl-4-oxo-, ethyl ester)

Cyclohexanecarboxylic acid, 2,3-dimethyl-4-oxo-, ethyl ester structure
1194714-96-9 structure
Product Name:Cyclohexanecarboxylic acid, 2,3-dimethyl-4-oxo-, ethyl ester
CAS No:1194714-96-9
MF:C11H18O3
MW:198.258823871613
CID:2126116
Update Time:2023-08-04

Cyclohexanecarboxylic acid, 2,3-dimethyl-4-oxo-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • ethyl 2,3-dimethyl-4-oxocyclohexanecarboxylate
    • Cyclohexanecarboxylic acid, 2,3-dimethyl-4-oxo-, ethyl ester
    • Inchi: 1S/C11H18O3/c1-4-14-11(13)9-5-6-10(12)8(3)7(9)2/h7-9H,4-6H2,1-3H3
    • InChI Key: ZBCPQKLEQXIPIA-UHFFFAOYSA-N
    • SMILES: O=C1CCC(C(=O)OCC)C(C)C1C

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 235
  • Topological Polar Surface Area: 43.4
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