Cas no 105166-31-2 (Hexanedioic acid, 2-methyl-2-phenyl-, 1-ethyl ester)

Hexanedioic acid, 2-methyl-2-phenyl-, 1-ethyl ester structure
105166-31-2 structure
Product Name:Hexanedioic acid, 2-methyl-2-phenyl-, 1-ethyl ester
CAS No:105166-31-2
MF:C15H20O4
MW:264.316905021667
CID:1151104
Update Time:2024-07-26

Hexanedioic acid, 2-methyl-2-phenyl-, 1-ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Hexanedioic acid, 2-methyl-2-phenyl-, 1-ethyl ester
    • Inchi: 1S/C15H20O4/c1-3-19-14(18)15(2,11-7-10-13(16)17)12-8-5-4-6-9-12/h4-6,8-9H,3,7,10-11H2,1-2H3,(H,16,17)
    • InChI Key: GHKLKRZJTNNMTD-UHFFFAOYSA-N
    • SMILES: C(OCC)(=O)C(C)(C1=CC=CC=C1)CCCC(O)=O

Computed Properties

  • Exact Mass: 263.12837

Experimental Properties

  • Density: 1.116±0.06 g/cm3(Predicted)
  • Boiling Point: 220 °C(Press: 0.008 Torr)
  • PSA: 66.43
  • pka: 4.66±0.10(Predicted)
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