Cas no 640729-52-8 (Pentanedioic acid, 2-hexyl-3-oxo-, dimethyl ester)

Pentanedioic acid, 2-hexyl-3-oxo-, dimethyl ester structure
640729-52-8 structure
Product Name:Pentanedioic acid, 2-hexyl-3-oxo-, dimethyl ester
CAS No:640729-52-8
MF:C13H22O5
MW:258.310784816742
CID:1665624
Update Time:2024-09-03

Pentanedioic acid, 2-hexyl-3-oxo-, dimethyl ester Chemical and Physical Properties

Names and Identifiers

    • Pentanedioic acid, 2-hexyl-3-oxo-, dimethyl ester
    • Pentanedioic acid, 2-hexyl-3-oxo-, 1,5-dimethyl ester
    • Inchi: 1S/C13H22O5/c1-4-5-6-7-8-10(13(16)18-3)11(14)9-12(15)17-2/h10H,4-9H2,1-3H3
    • InChI Key: XSVLZFZRRCCMGH-UHFFFAOYSA-N
    • SMILES: C(OC)(=O)C(CCCCCC)C(=O)CC(OC)=O

Computed Properties

  • Exact Mass: 258.14676

Experimental Properties

  • Density: 1.043±0.06 g/cm3(Predicted)
  • Boiling Point: 319.3±17.0 °C(Predicted)
  • PSA: 69.67
  • pka: 9.92±0.46(Predicted)
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