Cas no 105996-20-1 (Heptanedioic acid, 2-(1-oxopropyl)-, diethyl ester)

Heptanedioic acid, 2-(1-oxopropyl)-, diethyl ester structure
105996-20-1 structure
Product Name:Heptanedioic acid, 2-(1-oxopropyl)-, diethyl ester
CAS No:105996-20-1
MF:C14H24O5
MW:272.337365150452
CID:1173202
Update Time:2024-07-26

Heptanedioic acid, 2-(1-oxopropyl)-, diethyl ester Chemical and Physical Properties

Names and Identifiers

    • Heptanedioic acid, 2-(1-oxopropyl)-, diethyl ester
    • diethyl 2-(propionyl)heptanedioate
    • Heptanedioic acid, 2-(1-oxopropyl)-, 1,7-diethyl ester
    • Inchi： 1S/C14H24O5/c1-4-12(15)11(14(17)19-6-3)9-7-8-10-13(16)18-5-2/h11H,4-10H2,1-3H3
    • InChI Key： WEXLDJRCBHYHAW-UHFFFAOYSA-N
    • SMILES： C(OCC)(=O)C(C(=O)CC)CCCCC(OCC)=O

Computed Properties

  • Exact Mass: 272.16242

Experimental Properties

  • Density: 1.031±0.06 g/cm3(Predicted)
  • Boiling Point: 352.8±32.0 °C(Predicted)
  • PSA: 69.67
  • pka: 11.60±0.59(Predicted)

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