Cas no 376637-52-4 (1,4-Heptanedione, 1-(4-methoxyphenyl)-)

1,4-Heptanedione, 1-(4-methoxyphenyl)- structure
376637-52-4 structure
Product Name:1,4-Heptanedione, 1-(4-methoxyphenyl)-
CAS No:376637-52-4
MF:C14H18O3
MW:234.290924549103
CID:1485144
Update Time:2024-08-23

1,4-Heptanedione, 1-(4-methoxyphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Heptanedione, 1-(4-methoxyphenyl)-
    • Inchi: 1S/C14H18O3/c1-3-4-12(15)7-10-14(16)11-5-8-13(17-2)9-6-11/h5-6,8-9H,3-4,7,10H2,1-2H3
    • InChI Key: UHYUMSXXTLQCMJ-UHFFFAOYSA-N
    • SMILES: C(C1=CC=C(OC)C=C1)(=O)CCC(=O)CCC

Computed Properties

  • Exact Mass: 234.12564

Experimental Properties

  • Density: 1.043±0.06 g/cm3(Predicted)
  • Melting Point: 39-40 °C
  • Boiling Point: 379.1±22.0 °C(Predicted)
  • PSA: 43.37
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