Cas no 141038-15-5 (3,5-Heptanedione, 4-[2-(3-methoxyphenyl)ethyl]-)

3,5-Heptanedione, 4-[2-(3-methoxyphenyl)ethyl]- structure
141038-15-5 structure
Product Name:3,5-Heptanedione, 4-[2-(3-methoxyphenyl)ethyl]-
CAS No:141038-15-5
MF:C16H22O3
MW:262.344085216522
CID:1308912
Update Time:2024-08-04

3,5-Heptanedione, 4-[2-(3-methoxyphenyl)ethyl]- Chemical and Physical Properties

Names and Identifiers

    • 3,5-Heptanedione, 4-[2-(3-methoxyphenyl)ethyl]-
    • Inchi: 1S/C16H22O3/c1-4-15(17)14(16(18)5-2)10-9-12-7-6-8-13(11-12)19-3/h6-8,11,14H,4-5,9-10H2,1-3H3
    • InChI Key: YXMFZLQCHITKLW-UHFFFAOYSA-N
    • SMILES: CCC(=O)C(CCC1=CC=CC(OC)=C1)C(=O)CC

Computed Properties

  • Exact Mass: 262.15696

Experimental Properties

  • Density: 1.023±0.06 g/cm3(Predicted)
  • Boiling Point: 403.3±40.0 °C(Predicted)
  • PSA: 43.37
  • pka: 10.24±0.59(Predicted)
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